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Prof. Dr. Anna K. H. Hirsch

Über

Anna Hirsch studierte Naturwissenschaften mit Schwerpunkt Chemie an der University of Cambridge. Ihr drittes Jahr verbrachte sie am Massachusetts Institute of Technology, wo sie unter anderem ein Forschungsprojekt in der Gruppe von Prof. Timothy Jamison durchführte. Im Rahmen ihrer Masterarbeit forschte sie in der Gruppe von Prof. Steven V. Ley an der University of Cambridge.

Sie promovierte 2008 an der ETH Zürich. Hierbei beschäftigte sie sich in der Gruppe von Prof. François Diederich mit dem Struktur-basierten de novo Design und der Synthese von anti-Infektiva. Anschließend trat sie als Postdoc in die Gruppe von Prof. Jean-Marie Lehn am Institut de Science et d'Ingénierie Supramoléculaires (ISIS) in Straßburg ein, bevor sie 2010 eine Stelle als Assistenzprofessorin am Stratingh Institute for Chemistry an der Universität Groningen antrat, wo sie 2015 zur außerordentlichen Professorin ernannt wurde.

Im Jahr 2017 wechselte sie an das Helmholtz-Institut für Pharmazeutische Forschung Saarland (HIPS), wo sie die Abteilung für Wirkstoffdesign und -optimierung leitet. Ihre Arbeit konzentriert sich auf das Design und die Synthese antiinfektiöser Wirkstoffe. Hierbei kommen rationale Ansätze wie das Struktur- und Fragment-basierte Wirkstoffdesign zum Einsatz, aber auch innovative Methoden wie die dynamische kombinatorische Chemie und kinetische zielgerichtete Synthese.

Anna Hirsch wurde 2014 mit dem Gratama Science Prize, 2015 mit dem SCT-Servier Prize for Medicinal Chemistry, 2017 mit dem Innovation Prize for Medicinal Chemistry des GdCh/DPhG und 2019 mit dem EFMC Young Medicinal Chemist in Academia Prize (zweitplatzierte) ausgezeichnet.


2024

Development and evaluation of 2,4-disubstituted-5-aryl pyrimidine derivatives as antibacterial agents

Khalifa H, Rasheed S, Haupenthal J, Herrmann J, Mandour Y, Abadi A, Engel M, Müller R, Hirsch A, Abdel-Halim M, Hamed M (2024)

Archiv der PharmazieDOI: 10.1002/ardp.202300656

2023

Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections

Konstantinovic J, Kany A, Alhayek A, Abdelsamie A, Sikandar A, Voos K, Yao Y, Andreas A, Shafiei R, Loretz B, …, Haupenthal J, Hirsch A (2023)

ACS Cent. Sci. 9 (12): 2205-2215DOI: 10.1021/acscentsci.3c01102

New Genetically Engineered Derivatives of Antibacterial Darobactins Underpin Their Potential for Antibiotic Development

Seyfert C, Müller A, Walsh D, Birkelbach J, Kany A, Porten C, Yuan B, Krug D, Herrmann J, Marlovits T, Hirsch A, Müller R (2023)

J. Med. Chem.DOI: 10.1021/acs.jmedchem.3c01660

Clean Synthetic Strategies to Biologically Active Molecules from Lignin: A Green Path to Drug Discovery

Afanasenko A, Wu X, Santi A, Elgaher W, Kany A, Shafiei R, Schulze M, Schulz T, Haupenthal J, Hirsch A, Barta K (2023)

Angew. Chem. Int. Ed.DOI: 10.1002/anie.202308131

Identification of HuR–RNA Interfering Compounds by Dynamic Combinatorial Chemistry and Fluorescence Polarization

Della Volpe S, Listro R, Ambrosio F, Garbagnoli M, Linciano P, Rossi D, Costa G, Alcaro S, Vasile F, Hirsch A, Collina S (2023)

ACS Med. Chem. Lett.DOI: 10.1021/acsmedchemlett.3c00303

1-deoxy-D-xylulose-5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding

Hamid R, Adam S, Lacour A, Monjas L, Köhnke J, Hirsch A (2023)

The Journal of biological chemistryDOI: 10.1016/j.jbc.2023.105152

NRF2 activators inhibit influenza A virus replication by interfering with nucleo-cytoplasmic export of viral RNPs in an NRF2-independent manner

Waqas F, Shehata M, Elgaher W, Lacour A, Kurmasheva N, Begnini F, Kiib A, Dahlmann J, Chen C, Pavlou A, …, Pleschka S, Pessler F (2023)

PLOS Pathogens 19 (7)DOI: 10.1371/journal.ppat.1011506

Disrupting Kaposi's Sarcoma-Associated Herpesvirus (KSHV) Latent Replication with a Small Molecule Inhibitor

Berwanger A, Stein S, Kany A, Gartner M, Loretz B, Lehr C, Hirsch A, Schulz T, Empting M (2023)

Journal of medicinal chemistry 66 (15): 10782-10790DOI: 10.1021/acs.jmedchem.3c00990

New Genetically Engineered Derivatives of Antibacterial Darobac-tins Underpin their Potential for Antibiotic Development

Seyfert C, Müller A, Walsh D, Birkelbach J, Kany A, Porten C, Yuan B, Krug D, Herrmann J, Marlovits T, Hirsch A, Müller R (2023)

BookDOI: 10.26434/chemrxiv-2023-24tmj

pH-Responsive Dynaplexes as Potent Apoptosis Inductors by Intracellular Delivery of Survivin siRNA

Liu Y, Ashmawy S, Latta L, Weiss A, Kiefer A, Nasr S, Loretz B, Hirsch A, Lee S, Lehr C (2023)

Biomacromolecules 24 (8): 3742-3754DOI: 10.1021/acs.biomac.3c00424

Exploring the Translational Gap of a Novel Class of Escherichia coli IspE Inhibitors

Ropponen H, Diamanti E, Johannsen S, Illarionov B, Hamid R, Jaki M, Sass P, Fischer M, Haupenthal J, Hirsch A (2023)

ChemMedChemDOI: 10.1002/cmdc.202300346

Inhibitors of the Elastase LasB for the treatment of Pseudomonas aeruginosa lung infections

Konstantinovic J, Kany A, Alhayek A, Abdelsamie A, Sikandar A, Voos K, Yao Y, Andreas A, Shafiei R, Loretz B, …, Haupenthal J, Hirsch A (2023)

DOI: 10.26434/chemrxiv-2023-bszcb

Thermoresponsive cholesteric liquid-crystal systems doped with terpenoids as drug delivery systems for skin applications

Nesterkina M, Vashchenko O, Vashchenko P, Lisetski L, Kravchenko I, Hirsch A, Lehr C (2023)

European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.VDOI: 10.1016/j.ejpb.2023.09.002

Impact of Drug Administration Routes on the In Vivo Efficacy of the Natural Product Sorangicin a Using a Staphylococcus aureus Infection Model in Zebrafish Embryos

Fries F, Kany A, Rasheed S, Hirsch A, Müller R, Herrmann J (2023)

International journal of molecular sciences 24 (16)DOI: 10.3390/ijms241612791

Revision of the Absolute Configurations of Chelocardin and Amidochelocardin

Sikandar A, Popoff A, Jumde R, Mándi A, Kaur A, Elgaher W, Rosenberger L, Hüttel S, Jansen R, Hunter M, …, Kurtán T, Müller R (2023)

Angewandte Chemie (International ed. in English)DOI: 10.1002/anie.202306437

Selective Activation of TRPC6 Ion Channel by Metallated Type-B Polyprenylated Polycyclic Acylphloroglucinols

Peslalz P, Kraus F, Izzo F, Bleisch A, El Hamdaoui Y, Schulz I, Kany A, Hirsch A, Friedland K, Plietker B (2023)

ManuscriptDOI: 10.26434/chemrxiv-2023-6w94r

Revision of the Absolute Configurations of Chelocardin and Amidochelocardin

Sikandar A, Popoff A, Jumde R, Mándi A, Kaur A, Elgaher W, Rosenberger L, Hüttel S, Jansen R, Hunter M, …, Kurtán T, Müller R (2023)

Angewandte Chemie (Weinheim an der Bergstrasse, Germany)DOI: 10.1002/ange.202306437

Design of thiamine analogues for inhibition of thiamine diphosphate (ThDP)-dependent enzymes: Systematic investigation through Scaffold-Hopping and C2-Functionalisation

Chan A, Ho T, Irfan R, Hamid R, Rudge E, Iqbal A, Turner A, Hirsch A., Leeper F (2023)

Bioorganic chemistry 138DOI: 10.1016/j.bioorg.2023.106602

Insights into the biosynthesis of icumazole, unveiling a distinctive family of crotonyl-CoA carboxylase/reductase

Xie F, Kiefer A, Hirsch A, Kalinina O, Fu C, Müller R (2023)

Cell Reports Physical Science 4 (5)DOI: 10.1016/j.xcrp.2023.101394

Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in E. coli for Structure-Based Drug Design

Kolling D, Haupenthal J, Hirsch A, Köhnke J (2023)

ChemBioChemDOI: 10.1002/cbic.202300185

Structure of Mycobacterium tuberculosis 1-Deoxy-D-Xylulose 5-Phosphate Synthase in Complex with Butylacetylphosphonate

Gawriljuk V, Oerlemans R, Gierse R, Jotwani R, Hirsch A, Groves M (2023)

Crystals 13 (5)DOI: 10.3390/cryst13050737

Not Every Hit-Identification Technique Works on 1-Deoxy-d-Xylulose 5-Phosphate Synthase (DXPS): Making the Most of a Virtual Screening Campaign

Johannsen S, Gierse R, Olshanova A, Smerznak E, Laggner C, Eschweiler L, Adeli Z, Hamid R, Alhayek A, Reiling N, Haupenthal J, Hirsch A (2023)

ChemMedChemDOI: 10.1002/cmdc.202200590

Genotoxic and mutational potential of monocyclic terpenoids (carvacrol, carvone and thymol) in Drosophila melanogaster

Nesterkina M, Bilokon S, Alieksieieva T, Kravchenko I, Hirsch A (2023)

Toxicol. Rep. 10DOI: 10.1016/j.toxrep.2023.02.009

Fighting antibiotic resistance-strategies and (pre)clinical developments to find new antibacterials

Walesch S, Birkelbach J, Jézéquel G, Haeckl F, Hegemann J, Hesterkamp T, Hirsch A, Hammann P, Müller R (2023)

EMBO reports 24 (1)DOI: 10.15252/embr.202256033

Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle

Hamed M, Abdelsamie A, Rox K, Schütz C, Kany A, Röhrig T, Schmelz S, Blankenfeldt W, Arce-Rodriguez A, Borrero-de Acuña J, …, Hartmann R, Empting M (2023)

Adv. Sci. (Online)DOI: 10.1002/advs.202204443

2022

Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target‐Guided Synthesis

Camberlein V, Fléau C, Sierocki P, Li L, Gealageas R, Bosc D, Guillaume V, Warenghem S, Leroux F, Rosell M, …, Bouvier M, Deprez-Poulain R (2022)

Angew. Chemie 134 (39)DOI: 10.1002/ange.202203560

Synthesis, biological evaluation, and molecular docking studies of aldotetronic acid-based LpxC inhibitors

Wimmer S, Hoff K, Martin B, Grewer M, Denni L, Lascorz Massanet R, Raimondi M, Bülbül E, Melesina J, Hotop S, …, Sippl W, Holl R (2022)

Bioorganic chemistry 131DOI: 10.1016/j.bioorg.2022.106331

Proteoid biodynamers for safe mRNA transfection via pH-responsive nanorods enabling endosomal escape

Lee S, Nasr S, Rasheed S, Liu Y, Hartwig O, Kaya C, Boese A, Koch M, Herrmann J, Müller R, …, Hirsch A, Lehr C (2022)

Journal of controlled release : official journal of the Controlled Release Society 353: 915-929DOI: 10.1016/j.jconrel.2022.12.018

Baicalin lipid nanocapsules for treatment of glioma: characterization, mechanistic cytotoxicity, and pharmacokinetic evaluation

Ibrahim A, Abdel Gaber S, Fawzi Kabil M, Ahmed-Farid O, Hirsch A, El-Sherbiny I, Nasr M (2022)

Expert Opin. Drug Deliv. 19 (11): 1549-1560DOI: 10.1080/17425247.2022.2139370

Introduction to themed collection on fragment-based drug discovery

Rees D, Hirsch A, Erlanson D (2022)

RSC Med. Chem. 13DOI: 10.1039/D2MD90037H

An Efficient Way to Screen Inhibitors of Energy-Coupling Factor (ECF) Transporters in a Bacterial Uptake Assay

Bousis S, Winkler S, Haupenthal J, Fulco F, Diamanti E, Hirsch A (2022)

International journal of molecular sciences 23 (5)DOI: 10.3390/ijms23052637

Respiratory Syncytial Virus Two-Step Infection Screen Reveals Inhibitors of Early and Late Life Cycle Stages

Sake S, Kosch C, Blockus S, Haid S, Gunesch A, Zhang X, Friesland M, Trummer S, Grethe C, Kühnel A, …, Schulz T, Pietschmann T (2022)

Antimicrobial agents and chemotherapyDOI: 10.1128/aac.01032-22

Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases

Alhayek A, Abdelsamie A, Schönauer E, Camberlein V, Hutterer E, Posselt G, Serwanja J, Blöchl C, Huber C, Haupenthal J, …, Wessler S, Hirsch A (2022)

Journal of medicinal chemistry 65 (19): 12933-12955DOI: 10.1021/acs.jmedchem.2c00785

Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening

Di Zhu, Johannsen S, Masini T, Simonin C, Haupenthal J, Illarionov B, Andreas A, Awale M, Gierse R, van der Laan T, …, Reymond J, Hirsch A (2022)

Chem. Sci. 13 (36): 10686-10698DOI: 10.1039/D2SC02371G

Screening of Natural Products and Small Molecules Uncovers Novel Coronavirus 1a/1b Frameshifting Inhibitors with Antiviral Properties

Kibe A, Elgaher W, Rand U, Zimmer M, Kany A, Hermann J, Müller R, Cicin-Sain L, Hirsch A, Caliskan N (2022)

SSRN JournalDOI: 10.2139/ssrn.4157446

Design, Synthesis, Antimicrobial Activity, and Molecular Docking of Some New Diclofenac Derivatives

Tolba M, Hamed M, Sayed M, Kamal El-Dean A, Abdel-Mohsen S, Ibrahim O, Elgaher W, Hirsch A, Saddik A (2022)

Polycyclic Aromatic Compounds: 1-16DOI: 10.1080/10406638.2022.2102661

Structural analysis of 1-deoxy-D-xylulose 5-phosphate synthase from Pseudomonas aeruginosa and Klebsiella pneumoniae reveals conformational changes upon cofactor binding

Hamid R, Adam S, Lacour A, Gomez L, Hirsch A (2022)

bioRxivDOI: 10.1101/2022.07.04.498669

Identification of RAD51-BRCA2 Inhibitors Using N-Acylhydrazone-Based Dynamic Combinatorial Chemistry

Bagnolini G, Balboni B, Schipani F, Gioia D, Veronesi M, Franco F, Kaya C, Jumde R, Ortega J, Girotto S, …, Roberti M, Cavalli A (2022)

ACS Med. Chem. Lett. 13 (8): 1262-1269DOI: 10.1021/acsmedchemlett.2c00063

The Structures and Binding Modes of Small-Molecule Inhibitors of Pseudomonas aeruginosa Elastase LasB

Camberlein V, Jézéquel G, Haupenthal J, Hirsch A (2022)

Antibiotics 11 (8)DOI: 10.3390/antibiotics11081060

Structure-Guided Optimization of Small-Molecule Folate Uptake Inhibitors Targeting the Energy-Coupling Factor Transporters

Kiefer A, Bousis S, Hamed M, Diamanti E, Haupenthal J, Hirsch A (2022)

J. Med. Chem.DOI: 10.1021/acs.jmedchem.1c02114

Citraconate inhibits ACOD1 (IRG1) catalysis, reduces interferon responses and oxidative stress, and modulates inflammation and cell metabolism

Chen F, Elgaher W, Winterhoff M, Büssow K, Waqas F, Graner E, Pires-Afonso Y, Casares Perez L, La Vega L, Sahini N, …, Hirsch A, Pessler F (2022)

Nature metabolism 4 (5): 534-546DOI: 10.1038/s42255-022-00577-x

Targeting Extracellular Bacterial Proteases for the Development of Novel Antivirulence Agents

Kaya C, Hirsch A (2022)

Chimia 76 (5)DOI: 10.2533/chimia.2022.402

Design and Synthesis of Novel Bis-Imidazolyl Phenyl Butadiyne Derivatives as HCV NS5A Inhibitors

Hamdy J, Emadeldin N, Hamed M, Frakolaki E, Katsamakas S, Vassilaki N, Zoidis G, Hirsch A, Abdel-Halim M, Abadi A (2022)

Pharmaceuticals 15 (5)DOI: 10.3390/ph15050632

First crystal structures of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Mycobacterium tuberculosis indicate a distinct mechanism of intermediate stabilization

Gierse R, Oerlemans R, Reddem E, Gawriljuk V, Alhayek A, Baitinger D, Jakobi H, Laber B, Lange G, Hirsch A, Groves M (2022)

Sci. Rep. 12 (1)DOI: 10.1038/s41598-022-11205-9

N-Aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of Pseudomonas aeruginosa virulence factor LasB and Clostridium histolyticum virulence factor ColH

Voos K, Yahiaoui S, Konstantinovic J, Schönauer E, Alhayek A, Sikandar A, Si Chaib K, Ramspoth T, Rox K, Haupenthal J, …, Ducho C, Hirsch A (2022)

ChemRxivDOI: 10.26434/chemrxiv-2022-fjrqr

Structure-Based Design of α-Substituted Mercaptoacetamides as Inhibitors of the Virulence Factor LasB from Pseudomonas aeruginosa

Kaya C, Walter I, Alhayek A, Shafiei R, Jézéquel G, Andreas A, Konstantinovic J, Schönauer E, Sikandar A, Haupenthal J, …, Hartmann R, Hirsch A (2022)

ACS Infect. Dis.DOI: 10.1021/acsinfecdis.1c00628

N-Aryl Mercaptopropionamides as Broad-Spectrum Inhibitors of Metallo-β-Lactamases

Kaya C, Konstantinovic J, Kany A, Andreas A, Kramer J, Brunst S, Weizel L, Rotter M, Frank D, Yahiaoui S, …, Wichelhaus T, Hirsch A (2022)

Journal of medicinal chemistry 65 (5): 3913-3922DOI: 10.1021/acs.jmedchem.1c01755

Metabolic profiling of S-praziquantel: Structure elucidation using the crystalline sponge method in combination with mass spectrometry and nuclear magnetic resonance

Rosenberger L, Jenniches J, Essen C, Khutia A, Kühn C, Marx A, Georgi K, Hirsch A, Hartmann R, Badolo L (2022)

Drug metabolism and disposition: the biological fate of chemicalsDOI: 10.1124/dmd.121.000663

Inhibition of Collagenase Q1 of Bacillus cereus as a Novel Antivirulence Strategy for the Treatment of Skin‐Wound Infections

Alhayek A, Khan E, Schönauer E, Däinghaus T, Shafiei R, Voos K, Han M, Ducho C, Posselt G, Wessler S, …, del Campo A, Hirsch A (2022)

Adv. Therap.DOI: 10.1002/adtp.202100222

Bacteriomimetic Liposomes Improve Antibiotic Activity of a Novel Energy-Coupling Factor Transporter Inhibitor

Drost M, Diamanti E, Fuhrmann K, Goes A, Shams A, Haupenthal J, Koch M, Hirsch A, Fuhrmann G (2022)

Pharmaceutics 14 (1)DOI: 10.3390/pharmaceutics14010004

Inhibitors of Pseudomonas aeruginosa virulence factor LasB

Ducho C, Hartmann R, Haupenthal J, Hirsch A, Kany A, Kaya C, Konstantinovic J, Voos K, Walter I, Yahiaoui S, …, Jumde R, Kiefer A (2022)

Patent A61K31/095; A61K31/10; A61K31/167; A61K31/4184; A61K31/426; A61K31/428; A61K31/4406; A61P31/04; C07C323/60; C07D213/74; C07D235/30; C07D277/46; C07D277/82; C07D333/36; C07F9/38; C07F9/40; (WO2022043322A1)

2021

Citatronic Acid and Derivates thereof for use as a medicament

Pessler F., Chen F., Winterhoff M., Büssow K., Blankenfeldt W., Hirsch A. K. H., Elgaher W (2021)

Patent (WO2022223778, 2022)

Citatronic Acid and Derivates thereof for use as a medicament

Pessler F., Chen F., Winterhoff M., Büssow K., Blankenfeldt W., Hirsch A. K. H., Elgaher W (2021)

Patent (WO2022223778, 2022)

N-Phenyl-3-Mercaptopropanamide Derivatives as Metallo-Beta-Lactamase Inhibitors for the Treatment of Bacterial Infections

Hartmann R, Konstantinovic J, Haupenthal J, Hirsch A, Kany A, Kaya C, Yahiaoui S, Wichelhaus T, Proschak E (2021)

Patent A61K31/5375; A61P31/04; C07C233/15; C07C233/25; C07C233/33; C07C233/43; C07C233/54; C07C319/02; C07C323/52; C07D295/22; (‌‌WO2021191219A1)

N-Phenyl-3-Mercaptopropanamide Derivatives as Metallo-Beta-Lactamase Inhibitors for the Treatment of Bacterial Infections

Hartmann R, Konstantinovic J, Haupenthal J, Hirsch A, Kany A, Kaya C, Yahiaoui S, Wichelhaus T, Proschak E (2021)

Patent A61K31/5375; A61P31/04; C07C233/15; C07C233/25; C07C233/33; C07C233/43; C07C233/54; C07C319/02; C07C323/52; C07D295/22; (‌‌WO2021191219A1)

New PqsR Inverse Agonist

Schütz C, Empting M, Ahmed S, Hamed M, Hartmann R, Röhrig T, Kany A, Hirsch A (2021)

Patent A61K31/4439; A61K31/506; A61P31/04; C07D401/12; C07D403/12; (WO2021136803A1)

New PqsR Inverse Agonist

Schütz C, Empting M, Ahmed S, Hamed M, Hartmann R, Röhrig T, Kany A, Hirsch A (2021)

Patent A61K31/4439; A61K31/506; A61P31/04; C07D401/12; C07D403/12; (WO2021136803A1)

Novel PqsR Inverse Agonists

Hamed M, Ahmed S, Empting. M., Schütz C, Hartmann R, Röhrig T, Kany A, Hirsch A (2021)

Patent A61K31/4439; A61P31/04; C07D401/14; C07D417/14; (WO2021136805A1)

Novel PqsR Inverse Agonists

Hamed M, Ahmed S, Empting. M., Schütz C, Hartmann R, Röhrig T, Kany A, Hirsch A (2021)

Patent A61K31/4439; A61P31/04; C07D401/14; C07D417/14; (WO2021136805A1)

Towards the sustainable discovery and development of new antibiotics

Miethke M, Pieroni M, Weber T, Brönstrup M, Hammann P, Halby L, Arimondo P, Glaser P, Aigle B, Bode H, …, Moser H, Müller R (2021)

Nature reviews. Chemistry 5 (10): 726-749DOI: 10.1038/s41570-021-00313-1

Targeting the IspD Enzyme in the MEP Pathway: Identification of a Novel Fragment Class

Diamanti E, Hamed M, Lacour A, Bravo P, Illarionov B, Fischer M, Rottmann M, Witschel M, Hirsch A (2021)

ChemMedChemDOI: 10.1002/cmdc.202100679

Substrate-Inspired Fragment Merging and Growing Affords Efficacious LasB Inhibitors

Kaya C, Walter I, Yahiaoui S, Sikandar A, Alhayek A, Konstantinovic J, Kany A, Haupenthal J, Köhnke J, Hartmann R, Hirsch A (2021)

Angewandte Chemie (International ed. in English)DOI: 10.1002/anie.202112295

Targeting the energy-coupling factor (ECF) transporters: identification of new tool compounds

Diamanti E, Setyawati I, Bousis S, Souza P, mojas l, Swier l, Haupenthal J, Gibson P, Volz C, stanek w, …, slotboom d, Hirsch A (2021)

ChemRxivDOI: 10.26434/chemrxiv-2021-xq08b-v2

Redesigning of the cap conformation and symmetry of the diphenylethyne core to yield highly potent pan-genotypic NS5A inhibitors with high potency and high resistance barrier

Abdallah M, Hamed M, Frakolaki E, Katsamakas S, Vassilaki N, Bartenschlager R, Zoidis G, Hirsch A, Abdel-Halim M, Abadi A (2021)

European journal of medicinal chemistryDOI: 10.1016/j.ejmech.2021.114034

Unveiling Adatoms in On-Surface Reactions: Combining Scanning Probe Microscopy with van't Hoff Plots

Moreno-López J, Pérez Paz A, Gottardi S, Solianyk L, Li J, Monjas L, Hirsch A, Mowbray D, Stöhr M (2021)

The journal of physical chemistry. C, Nanomaterials and interfaces 125 (18): 9847-9854DOI: 10.1021/acs.jpcc.1c03134

Design, synthesis, and biological evaluation of novel benzimidazole derivatives as sphingosine kinase 1 inhibitor

Khairat S, Omar M, Ragab F, Roy S, Turab Naqvi A, Abdelsamie A, Hirsch A, Galal S, Hassan M, El Diwani H (2021)

Archiv der Pharmazie 354 (9)DOI: 10.1002/ardp.202100080

Identification of N,N-arylalkyl-picolinamide derivatives targeting the RNA-binding protein HuR, by combining biophysical fragment-screening and molecular hybridization

Della Volpe S, Linciano P, Listro R, Tumminelli E, Amadio M, Bonomo I, Elgaher W, Adam S, Hirsch A, Boeckler F, …, Rossi D, Collina S (2021)

Bioorganic chemistry 116DOI: 10.1016/j.bioorg.2021.105305

Expanding the Myxochelin Natural Product Family by Nicotinic Acid Containing Congeners

Frank N, Széles M, Akone S, Rasheed S, Hüttel S, Frewert S, Hamed M, Herrmann J, Schuler S, Hirsch A, Müller R (2021)

Molecules 26 (16)DOI: 10.3390/molecules26164929

N-Aryl mercaptoacetamides as potential multi-target inhibitors of metallo-β-lactamases (MBLs) and the virulence factor LasB from Pseudomonas aeruginosa

Yahiaoui S, Voos K, Haupenthal J, Wichelhaus T, Frank D, Weizel L, Rotter M, Brunst S, Kramer J, Proschak E, Ducho C, Hirsch A (2021)

RSC Med. Chem.DOI: 10.1039/D1MD00187F

Crystalline sponge affinity screening: A fast tool for soaking condition optimization without the need of X-ray diffraction analysis

Rosenberger L, Essen C, Khutia A, Kühn C, Georgi K, Hirsch A, Hartmann R, Badolo L (2021)

European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 164DOI: 10.1016/j.ejps.2021.105884

A New PqsR Inverse Agonist Potentiates Tobramycin Efficacy to Eradicate Pseudomonas aeruginosa Biofilms

Schütz C, Ho D, Hamed M, Abdelsamie A, Röhrig T, Herr C, Kany A, Rox K, Schmelz S, Siebenbürger L, …, Lehr C, Empting M (2021)

Advanced science (Weinheim, Baden-Wurttemberg, Germany) 8 (12)DOI: 10.1002/advs.202004369

“Clicking“ fragment leads to novel dual-binding cholinesterase inhibitors

Moleda Z, Zawadzka A, Czarnocki Z, Monjas L, Hirsch A, Budzianowski A, Maurin J (2021)

Bioorg Med ChemDOI: 10.1016/j.bmc.2021.116269

Phosphonate as a Stable Zinc‐Binding Group for “Pathoblocker” Inhibitors of Clostridial Collagenase H (ColH) (ChemMedChem 8/2021)

Voos K, Schönauer E, Alhayek A, Haupenthal J, Andreas A, Müller R, Hartmann R, Brandstetter H, Hirsch A, Ducho C (2021)

ChemMedChem 16 (8): 1198-1198DOI: 10.1002/cmdc.202100229

Hit-optimization using target-directed dynamic combinatorial chemistry: Development of inhibitors of the anti-infective target 1-deoxy-D-xylulose-5-phosphate synthase

Jumde R, Guadigni M, Gierse R, Alhayek A, Di Zhu, Hamid Z, Johannsen S, Elgaher W, Neusens P, Nehls C, …, Reiling N, Hirsch A (2021)

Chemical ScienceDOI: 10.1039/D1SC00330E

Search for the Active Ingredients from a 2-Aminothiazole DMSO Stock Solution with Antimalarial Activity

Ropponen H, Bader C, Diamanti E, Illarionov B, Rottmann M, Fischer M, Witschel M, Müller R, Hirsch A (2021)

ChemMedChem 16 (13): 2089-2093DOI: 10.1002/cmdc.202100067

Mastering the Gram-Negative Bacterial Barrier - Chemical Approaches to Increase Bacterial Bioavailability of Antibiotics

Ropponen H, Richter R, Hirsch A, Lehr C (2021)

Advanced Drug Delivery ReviewsDOI: 10.1016/j.addr.2021.02.014

Assessment of the rules related to gaining activity against Gram-negative bacteria

Ropponen H, Diamanti E, Siemens A, Illarionov B, Haupenthal J, Fischer M, Rottmann M, Witschel M, Hirsch A (2021)

RSC Med. Chem.DOI: 10.1039/D0MD00409J

Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design

Axer A, Jumde R, Adam S, Faust A, Schäfers M, Fobker M, Koehnke J, Hirsch A, Gilmour R (2021)

Chem. Sci. 12 (4): 1286-1294DOI: 10.1039/D0SC04297H

Phosphonate as Stable Zinc-binding Group for Inhibitors of Clostridial Collagenase H (ColH) as Pathoblocker Agents

Voos K, Schönauer E, Alhayek A, Haupenthal J, Andreas A, Müller R, Hartmann R, Brandstetter H, Hirsch A, Ducho C (2021)

ChemMedChemDOI: 10.1002/cmdc.202000994

Identification of a 1-deoxy-D-xylulose-5-phosphate synthase (DXS) mutant with improved crystallographic properties

Gierse R, Reddem E, Alhayek A, Baitinger D, Hamid Z, Jakobi H, Laber B, Lange G, Hirsch A, Groves (2021)

Biochemical and Biophysical Research Communications 539DOI: 10.1016/j.bbrc.2020.12.069

2020

A hydrogel-based in vitro assay for the fast prediction of antibiotic accumulation in Gram-negative bacteria

Richter R, Kamal M, García-Rivera M, Kaspar J, Junk M, Elgaher W, Srikakulam S, Gress A, Beckmann A, Grißmer A, …, Schneider-Daum N, Lehr C (2020)

Materials today. Bio 8DOI: 10.1016/j.mtbio.2020.100084

Micro-rheological properties of lung homogenates correlate with infection severity in a mouse model of Pseudomonas aeruginosa lung infection

Murgia X, Kany A, Herr C, Ho D, Rossi C, Bals R, Lehr C, Hirsch A, Hartmann R, Empting M, Röhrig T (2020)

Scientific Reports 10 (1)DOI: 10.1038/s41598-020-73459-5

Semisynthesis and biological evaluation of amidochelocardin derivatives as broad-spectrum antibiotics

Grandclaudon C, Birudukota N, Elgaher W, Jumde R, Yahiaoui S, Arisetti N, Hennessen F, Hüttel S, Stadler M, Herrmann J, …, Hirsch A, Brönstrup M (2020)

European journal of medicinal chemistry 188DOI: 10.1016/j.ejmech.2019.112005

Discovery of Small-Molecule Stabilizers of 14-3-3 Protein-Protein Interactions via Dynamic Combinatorial Chemistry

Hartman A, Elgaher W, Hertrich N, Andrei S, Ottmann C, Hirsch A (2020)

ACS medicinal chemistry letters 11 (5): 1041-1046DOI: 10.1021/acsmedchemlett.9b00541

Evaluation of Bacterial RNA Polymerase Inhibitors in a Staphylococcus aureus-Based Wound Infection Model in SKH1 Mice

Haupenthal J, Kautz Y, Elgaher W, Pätzold L, Röhrig T, Laschke M, Tschernig T, Hirsch A, Molodtsov V, Murakami K, Hartmann R, Bischoff M (2020)

ACS infectious diseases 6 (10): 2573-2581DOI: 10.1021/acsinfecdis.0c00034

François Diederich – In Memoriam**

Hof F, Hirsch A (2020)

ChemMedChemDOI: 10.1002/cmdc.202000920

Protein‐Templated Hit Identification through an Ugi Four‐Component Reaction

Federica Mancini, M. Yagiz Unver, Walid A. M. Elgaher, Varsha R. Jumde, Alaa Alhayek, Peer Lukat, Jennifer Herrmann, Martin D. Witte, Matthias Köck, Wulf Blankenfeldt, Rolf Müller, Hirsch A (2020)

Chemistry – A European Journal 26 (64)DOI: 10.1002/chem.202086462

7-Hydroxycoumarins are Affinity-based Fluorescent Probes for Competitive Binding Studies of Macrophage Migration Inhibitory Factor

Xiao Z, Chen D, Song S, van der Vlag R, van der Wouden P, van Merkerk R, Cool R, Hirsch A, Melgert B, Quax W, Poelarends G, Dekker F (2020)

Journal of medicinal chemistryDOI: 10.1021/acs.jmedchem.0c01160

pH-Dependent morphology and optical properties of lysine-derived molecular biodynamers

Lee S, Kaya C, Jang H, Koch M, Loretz B, Buhler E, Lehr C, Hirsch A (2020)

Mater. Chem. Front. 4 (3): 905-909DOI: 10.1039/C9QM00651F

Rapid Discovery of Aspartyl Protease Inhibitors Using an Anchoring Approach

Konstantinidou M, Magari F, Sutanto F, Haupenthal J, Jumde R, Ünver M, Heine A, Camacho C, Hirsch A, Klebe G, Dömling A (2020)

ChemMedChem 15 (8): 680-684DOI: 10.1002/cmdc.202000024

Tracheal brush cells release acetylcholine in response to bitter tastants for paracrine and autocrine signaling

Hollenhorst M, Jurastow I, Nandigama R, Appenzeller S, Li L, Vogel J, Wiederhold S, Althaus M, Empting M, Altmüller J, …, Saliba A, Krasteva-Christ G (2020)

FASEB j. 34 (1): 316-332DOI: 10.1096/fj.201901314RR

Optimized Inhibitors of MDM2 via an Attempted Protein‐Templated Reductive Amination

Vlag R, Yagiz Unver M, Felicetti T, Twarda-Clapa A, Kassim F, Ermis C, Neochoritis C, Musielak B, Labuzek B, Dömling A, Holak T, Hirsch A (2020)

ChemMedChem 15 (4): 370-375DOI: 10.1002/cmdc.201900574

Validating the 1,2-Difluoro Motif As a Hybrid Bioisostere of CF3 and Et Using Matrix Metalloproteinases As Structural Probes

Erdeljac N, Thiehoff C, Jumde R, Daniliuc C, Höppner S, Faust A, Hirsch A, Gilmour R (2020)

Journal of medicinal chemistry 63 (11): 6225-6237DOI: 10.1021/acs.jmedchem.0c00648

Protein‐Templated Hit Identification via an Ugi Four‐Component Reaction

Mancini F, Unver M, Elgaher W, Jumde V, Alhayek A, Lukat P, Herrmann J, Witte M, Köck M, Blankenfeldt W, Müller R, Hirsch A (2020)

Chem. Eur. J.DOI: 10.1002/chem.202002250

Synthesis and Biological Evaluation of Novel 2-Substituted ­Analogues of (–)-Pentenomycin I

Zisopoulou S, Bousis S, Haupenthal J, Herrmann J, Müller R, Hirsch A, Komiotis D, Gallos J, Stathakis C (2020)

Synlett 31 (05): 475-481DOI: 10.1055/s-0039-1690772

BOPC1 Enantiomers Preparation and HuR Interaction Study. From Molecular Modeling to a Curious DEEP-STD NMR Application

Della Volpe S, Listro R, Parafioriti M, Di Giacomo M, Rossi D, Ambrosio F, Costa G, Alcaro S, Ortuso F, Hirsch A, Vasile F, Collina S (2020)

ACS medicinal chemistry letters 11 (5): 883-888DOI: 10.1021/acsmedchemlett.9b00659

N -Aryl-3-mercaptosuccinimides as Antivirulence Agents Targeting Pseudomonas aeruginosa Elastase and Clostridium Collagenases

Konstantinovic J, Yahiaoui S, Alhayek A, Haupenthal J, Schönauer E, Andreas A, Kany A, Müller R, Koehnke J, Berger F, …, Brandstetter H, Hirsch A (2020)

J. Med. Chem. 63 (15): 8359-8368DOI: 10.1021/acs.jmedchem.0c00584

Flotillin-mediated membrane fluidity controls peptidoglycan synthesis and MreB movement

Zielinska A, Savietto A, Sousa Borges A, Martinez D, Berbon M, Roelofsen J, Hartman A, Boer R, van der Klei I, Hirsch A, …, Bramkamp M, Scheffers D (2020)

eLife 9DOI: 10.7554/eLife.57179

Potential Dental Biofilm Inhibitors: Dynamic Combinatorial Chemistry Affords Sugar-Based Molecules that Target Bacterial Glucosyltransferase

Hartman A, Jumde V, Elgaher W, Te Poele E, Dijkhuizen L, Hirsch A (2020)

ChemMedChemDOI: 10.1002/cmdc.202000222

A rapid synthesis of low-nanomolar divalent LecA inhibitors in four linear steps from d -galactose pentaacetate

Zahorska E, Kuhaudomlarp S, Minervini S, Yousaf S, Lepsik M, Kinsinger T, Hirsch A, Imberty A, Titz A (2020)

Chem. Commun. 56 (62): 8822-8825DOI: 10.1039/d0cc03490h

Novel PqsR Inverse Agonists

Hamed M, Ahmed S, Empting. M., Schütz C, Hartmann R, Röhrig T, Kany A, Hirsch A (2020)

Patent (EP20150119)

2019

Energy-Coupling Factor Transporters as Novel Antimicrobial Targets

Bousis S, Setyawati I, Diamanti E, Slotboom D, Hirsch A (2019)

Advanced Therapeutics, 2, 1800066DOI: 10.1002/ADTP.201800066

Protein-Templated Dynamic Combinatorial Chemistry: Brief Overview and Experimental Protocol

Hartman A, Gierse R, Hirsch A (2019)

European journal of organic chemistry 2019 (22): 3581-3590DOI: 10.1002/ejoc.201900327

Concepts and Core Principles of Fragment-Based Drug Design

Kirsch P, Hartman A, Hirsch A, Empting M (2019)

Molecules (Basel, Switzerland) 24 (23)DOI: 10.3390/molecules24234309

Comparing the Self-Assembly of Sexiphenyl-Dicarbonitrile on Graphite and Graphene on Cu(111)

Schmidt N, Li J, Gottardi S, Moreno-Lopez J, Enache M, Monjas L, van der Vlag R, Havenith R, Hirsch A, Stöhr M (2019)

Chem. Eur. J. 25 (19): 5065-5070DOI: 10.1002/chem.201806312

Inverting Small Molecule–Protein Recognition by the Fluorine Gauche Effect: Selectivity Regulated by Multiple H→F Bioisosterism

Bentler P, Bergander K, Daniliuc C, Mück-Lichtenfeld C, Jumde R, Hirsch A, Gilmour R (2019)

Angewandte Chemie (International ed. in English) 58 (32): 10990-10994DOI: 10.1002/anie.201905452

Spray-drying of inhalable, multifunctional formulations for the treatment of biofilms formed in cystic fibrosis

Lababidi N, Ofosu Kissi E, Elgaher W, Sigal V, Haupenthal J, Schwarz B, Hirsch A, Rades T, Schneider M (2019)

Journal of Controlled Release 314: 62-71DOI: 10.1016/j.jconrel.2019.10.038

From Wood to Tetrahydro-2-benzazepines in Three Waste-Free Steps: Modular Synthesis of Biologically Active Lignin-Derived Scaffolds

Elangovan S, Afanasenko A, Haupenthal J, Sun Z, Liu Y, Hirsch A, Barta K (2019)

ACS Cent. Sci. 5 (10): 1707-1716DOI: 10.1021/acscentsci.9b00781

Surface state tunable energy and mass renormalization from homothetic quantum dot arrays

Piquero-Zulaica I, Li J, Abd El-Fattah Z, Solianyk L, Gallardo I, Monjas L, Hirsch A, Arnau A, Ortega J, Stöhr M, Lobo-Checa J (2019)

Nanoscale 11 (48): 23132-23138DOI: 10.1039/c9nr07365e

Novel Compounds Targeting the RNA-Binding Protein HuR. Structure-Based Design, Synthesis, and Interaction Studies

Della Volpe S, Nasti R, Queirolo M, Unver M, Jumde V, Dömling A, Vasile F, Potenza D, Ambrosio F, Costa G, …, Hirsch A, Collina S (2019)

ACS Med. Chem. Lett. 10 (4): 615-620DOI: 10.1021/acsmedchemlett.8b00600

A combinatorial approach for the discovery of drug-like inhibitors of 15-lipoxygenase-1

van der Vlag R, Guo H, Hapko U, Eleftheriadis N, Monjas L, Dekker F, Hirsch A (2019)

European journal of medicinal chemistry 174: 45-55DOI: 10.1016/j.ejmech.2019.04.021

Rational Adaptation of L3MBTL1 Inhibitors to Create Small-Molecule Cbx7 Antagonists

Simhadri C, Daze K, Douglas S, Milosevich N, Monjas L, Dev A, Brown T, Hirsch A, Wulff J, Hof F (2019)

ChemMedChem 14 (15): 1444-1456DOI: 10.1002/cmdc.201900021

Low-Dimensional Metal-Organic Coordination Structures on Graphene

Li J, Solianyk L, Schmidt N, Baker B, Gottardi S, Moreno Lopez J, Enache M, Monjas L, van der Vlag R, Havenith R, Hirsch A, Stöhr M (2019)

The journal of physical chemistry. C, Nanomaterials and interfaces 123 (20): 12730-12735DOI: 10.1021/acs.jpcc.9b00326

Novel 15-Lipoxygenase-1 Inhibitor Protects Macrophages from Lipopolysaccharide-Induced Cytotoxicity

Guo H, Verhoek I, Prins G, van der Vlag R, van der Wouden P, van Merkerk R, Quax W, Olinga P, Hirsch A, Dekker F (2019)

Journal of medicinal chemistry 62 (9): 4624-4637DOI: 10.1021/acs.jmedchem.9b00212

Replacement of an Indole Scaffold Targeting Human 15-Lipoxygenase-1 Using Combinatorial Chemistry

Prismawan D, van der Vlag R, Guo H, Dekker F, Hirsch A (2019)

HCA 102 (5)DOI: 10.1002/hlca.201900040

Reversible immobilization of a protein to a gold surface through multiple host-guest interactions

Schwarz D, Elgaher W, Hollemeyer K, Hirsch A, Wenz G (2019)

J. Mater. Chem. B 7 (40): 6148-6155DOI: 10.1039/c9tb00560a

2018

Trendbericht Biochemie 2017: Proteinvermittelte dynamische kombinatorische Chemie

Hirsch A (2018)

Nachr. Chem. 66 (3): 281-283DOI: 10.1002/nadc.20184071734

Druggability Assessment of Targets Used in Kinetic Target-Guided Synthesis

Unver M, Gierse R, Ritchie H, Hirsch A (2018)

Journal of medicinal chemistry 61 (21): 9395-9409DOI: 10.1021/acs.jmedchem.8b00266

Phage Display on the Anti-infective Target 1-Deoxy-d-xylulose-5-phosphate Synthase Leads to an Acceptor-Substrate Competitive Peptidic Inhibitor

Marcozzi A, Masini T, Di Zhu, Pesce D, Illarionov B, Fischer M, Herrmann A, Hirsch A (2018)

ChemBioChem 19 (1): 58-65DOI: 10.1002/cbic.201700402

Lipid-DNAs as Solubilizers of m THPC

Liu Y, de Vries J, Liu Q, Hartman A, Wieland G, Wieczorek S, Börner H, Wiehe A, Buhler E, Stuart M, …, Herrmann A, Hirsch A (2018)

Chem. Eur. J. 24 (4): 798-802DOI: 10.1002/chem.201705206

Glucansucrase (mutant) enzymes from Lactobacillus reuteri 180 efficiently transglucosylate Stevia component rebaudioside A, resulting in a superior taste

Te Poele E, Devlamynck T, Jäger M, Gerwig G, van de Walle D, Dewettinck K, Hirsch A, Kamerling J, Soetaert W, Dijkhuizen L (2018)

Sci Rep 8 (1)DOI: 10.1038/s41598-018-19622-5

Delivery system for budesonide based on lipid-DNA

Liu Y, Bos I, Oenema T, Meurs H, Maarsingh H, Hirsch A (2018)

European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V 130: 123-127DOI: 10.1016/j.ejpb.2018.06.012

Dynamic Proteoids Generated From Dipeptide-Based Monomers

Liu Y, Stuart M, Buhler E, Hirsch A (2018)

Macromolecular rapid communications 39 (13)DOI: 10.1002/marc.201800099

Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin

Jumde V, Mondal M, Gierse R, Unver M, Magari F, van Lier R, Heine A, Klebe G, Hirsch A (2018)

ChemMedChem 13 (21): 2266-2270DOI: 10.1002/cmdc.201800446

Exploration of ligand binding modes towards the identification of compounds targeting HuR: a combined STD-NMR and Molecular Modelling approach

Vasile F, Della Volpe S, Ambrosio F, Costa G, Unver M, Zucal C, Rossi D, Martino E, Provenzani A, Hirsch A, …, Potenza D, Collina S (2018)

Sci Rep 8 (1)DOI: 10.1038/s41598-018-32084-z

Donepezil-melatonin hybrids as butyrylcholinesterase inhibitors: Improving binding affinity through varying mode of linking fragments

Lozinska I, Swierczynska A, Moleda Z, Hartman A, Hirsch A, Czarnocki Z (2018)

Archiv der Pharmazie 351 (11)DOI: 10.1002/ardp.201800194

2017

Molecular Biodynamers: Dynamic Covalent Analogues of Biopolymers

Liu Y, Lehn J, Hirsch A (2017)

Accounts of chemical research 50 (2): 376-386DOI: 10.1021/acs.accounts.6b00594

DXS as a target for structure-based drug design

Gierse R, Redeem E, Diamanti E, Wrenger C, Groves M, Hirsch A (2017)

Future medicinal chemistry 9 (11): 1277-1294DOI: 10.4155/fmc-2016-0239

Molecular insight into specific 14-3-3 modulators: Inhibitors and stabilisers of protein-protein interactions of 14-3-3

Hartman A, Hirsch A (2017)

European journal of medicinal chemistry 136DOI: 10.1016/j.ejmech.2017.04.058

Compounds Interfering with Embryonic Lethal Abnormal Vision (ELAV) Protein-RNA Complexes: An Avenue for Discovering New Drugs

Nasti R, Rossi D, Amadio M, Pascale A, Unver M, Hirsch A, Collina S (2017)

Journal of medicinal chemistry 60 (20): 8257-8267DOI: 10.1021/acs.jmedchem.6b01871

Fine-tuning Nanocarriers Specifically toward Cargo: A Competitive Study on Solubilizing Related Photosensitizers for Photodynamic Therapy

Wieczorek S, Remmler D, Masini T, Kochovski Z, Hirsch A, Börner H (2017)

Bioconjugate chemistry 28 (3): 760-767DOI: 10.1021/acs.bioconjchem.6b00549

Pentapeptide‐rich peptidoglycan at the Bacillus subtilis cell‐division site

Morales Angeles D, Liu Y, Hartman A, Borisova M, Sousa Borges A, Kok N, Beilharz K, veening j, Mayer C, Hirsch A, Scheffers D (2017)

Molecular microbiology 104 (2): 319-333DOI: 10.1111/mmi.13629

Bicyclic enol cyclocarbamates inhibit penicillin-binding proteins

Dockerty P, Edens J, Tol M, Morales Angeles D, Domenech A, Liu Y, Hirsch A, veening j, Scheffers D, Witte M (2017)

Organic & biomolecular chemistry 15 (4): 894-910DOI: 10.1039/c6ob01664b

Designed Spiroketal Protein Modulation

Scheepstra M, Andrei S, Unver M, Hirsch A, Leysen S, Ottmann C, Brunsveld L, Milroy L (2017)

Angewandte Chemie (International ed. in English) 56 (20): 5480-5484DOI: 10.1002/anie.201612504

Insight into the complete substrate-binding pocket of ThiT by chemical and genetic mutations

Swier L, Monjas L, Reeßing F, Oudshoorn R, Aisyah, Primke T, Bakker M, van Olst E, Ritschel T, Faustino I, …, Hirsch A, Slotboom D (2017)

MedChemComm 8 (5): 1121-1130DOI: 10.1039/c7md00079k

Saccharide-Containing Dynamic Proteoids

Liu Y, Stuart M, Witte M, Buhler E, Hirsch A (2017)

Chemistry (Weinheim an der Bergstrasse, Germany) 23 (64): 16162-16166DOI: 10.1002/chem.201703584

Dynamic Combinatorial Chemistry to Identify Binders of ThiT, an S-Component of the Energy-Coupling Factor Transporter for Thiamine

Monjas L, Swier L, Setyawati I, slotboom d, Hirsch A (2017)

ChemMedChem 12 (20): 1693-1696DOI: 10.1002/cmdc.201700440

2016

Design and synthesis of thiamine analogues to study their binding to the ECF transporter for thiamine in bacteria

Monjas L, Swier L, Voogd A, Oudshoorn R, Hirsch A, Slotboom D (2016)

Med. Chem. Commun. 7 (5): 966-971DOI: 10.1039/C6MD00022C

Furoates and thenoates inhibit pyruvate dehydrogenase kinase 2 allosterically by binding to its pyruvate regulatory site

Masini T, Birkaya B, van Dijk S, Mondal M, Hekelaar J, Jäger M, van Terwisscha Scheltinga A, Patel M, Hirsch A, Moman E (2016)

Journal of enzyme inhibition and medicinal chemistry 31 (sup4): 170-175DOI: 10.1080/14756366.2016.1201812

Proteoid Dynamers with Tunable Properties

Liu Y, Stuart M, Buhler E, Lehn J, Hirsch A (2016)

DOI: 10.1002/ADFM.201601612

Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry

Mondal M, Radeva N, Fanlo-Virgós H, Otto S, Klebe G, Hirsch A (2016)

Angewandte Chemie (International ed. in English) 55 (32): 9422-6DOI: 10.1002/anie.201603074

Fragment-Based Drug Design Facilitated by Protein-Templated Click Chemistry: Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin

Mondal M, Unver M, Pal A, Bakker M, Berrier S, Hirsch A (2016)

Chem. Eur. J. 22 (42): 14826-14830DOI: 10.1002/chem.201603001

2015

Dynamic combinatorial chemistry: a tool to facilitate the identification of inhibitors for protein targets

Mondal M, Hirsch A (2015)

Chemical Society reviews 44 (8): 2455-88DOI: 10.1039/c4cs00493k

Fighting malaria: structure-guided discovery of nonpeptidomimetic plasmepsin inhibitors

Huizing A, Mondal M, Hirsch A (2015)

Journal of medicinal chemistry 58 (13): 5151-63DOI: 10.1021/jm5014133

Harnessing dynamic combinatorial chemistry in the search for new ligands for protein targets

Monjas L, Hirsch A (2015)

Future medicinal chemistry 7 (16): 2095-8DOI: 10.4155/fmc.15.146

Combinatorial screening for specific drug solubilizers with switchable release profiles

Wieczorek S, Vigne S, Masini T, Ponader D, Hartmann L, Hirsch A, Börner H (2015)

Macromolecular Bioscience 15 (1): 82-9DOI: 10.1002/mabi.201400443

Structure-based design of potent small-molecule binders to the S-component of the ECF transporter for thiamine

Swier L, Monjas L, Guskov A, Voogd A, Erkens G, slotboom d, Hirsch A (2015)

ChemBioChem 16 (5): 819-26DOI: 10.1002/cbic.201402673

Fragment growing exploiting dynamic combinatorial chemistry of inhibitors of the aspartic protease endothiapepsin

Mondal M, Groothuis D, Hirsch A (2015)

DOI: 10.1039/C5MD00157A

Structure-Based Optimization of Inhibitors of the Aspartic Protease Endothiapepsin

Hartman A, Mondal M, Radeva N, Klebe G, Hirsch A (2015)

International journal of molecular sciences 16 (8): 19184-94DOI: 10.3390/ijms160819184

Supramolecular chemistry … and beyond

Hirsch A (2015)

Angewandte Chemie (International ed. in English) 54 (38): 11013-4DOI: 10.1002/anie.201506536

Validation of a homology model of Mycobacterium tuberculosis DXS: rationalization of observed activities of thiamine derivatives as potent inhibitors of two orthologues of DXS

Masini T, Lacy B, Monjas L, Hawksley D, Voogd A, Illarionov B, Iqbal A, Leeper F, Fischer M, Kontoyianni M, Hirsch A (2015)

Organic & biomolecular chemistry 13 (46): 11263-77DOI: 10.1039/c5ob01666e

2014

Development of inhibitors of the 2C-methyl-D-erythritol 4-phosphate (MEP) pathway enzymes as potential anti-infective agents

Masini T, Hirsch A (2014)

Journal of medicinal chemistry 57 (23): 9740-63DOI: 10.1021/jm5010978

Theoretical and structural analysis of long C-C bonds in the adducts of polycyanoethylene and anthracene derivatives and their connection to the reversibility of Diels-Alder reactions

Hirsch A, Reutenauer P, Le Moignan M, Ulrich S, Boul P, Harrowfield J, Jarowski P, Lehn J (2014)

Chemistry (Weinheim an der Bergstrasse, Germany) 20 (4): 1073-80DOI: 10.1002/chem.201303276

Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry

Mondal M, Radeva N, Köster H, Park A, Potamitis C, Zervou M, Klebe G, Hirsch A (2014)

Angewandte Chemie (International ed. in English) 53 (12): 3259-63DOI: 10.1002/anie.201309682

A natural-product switch for a dynamic protein interface

Scheepstra M, Nieto L, Hirsch A, Fuchs S, Leysen S, Lam C, het Panhuis L, van Boeckel C, Wienk H, Boelens R, …, Milroy L, Brunsveld L (2014)

Angewandte Chemie (International ed. in English) 53 (25): 6443-8DOI: 10.1002/anie.201403773

A doubly hermaphroditic chiral crown ether

Hirsch A, Sirlin C, Harrowfield J, Lehn J (2014)

DOI: 10.1039/C4CE00879K

De novo fragment-based design of inhibitors of DXS guided by spin-diffusion-based NMR spectroscopy

Masini T, Pilger J, Kroezen B, Illarionov B, Lottmann P, Fischer M, Griesinger C, Hirsch A (2014)

Chem. Sci. 5 (9): 3543-3551DOI: 10.1039/C4SC00588K

2013

Druggability of the enzymes of the non-mevalonate-pathway

Masini T, Kroezen B, Hirsch A (2013)

Drug Discovery Today 18 (23-24): 1256-62DOI: 10.1016/j.drudis.2013.07.003

Total synthesis, stereochemical elucidation and biological evaluation of Ac 2 SGL; a 1,3-methyl branched sulfoglycolipid from Mycobacterium tuberculosis

Geerdink D, Horst B, Lepore M, Mori L, Puzo G, Hirsch A, Gilleron M, Libero G, Minnaard A (2013)

DOI: 10.1039/C2SC21620E

Imidazole- and Benzimidazole-Based Inhibitors of the Kinase IspE: Targeting the Substrate-Binding Site and the Triphosphate-Binding Loop of the ATP Site

Mombelli P, Le Chapelain C, Munzinger N, Joliat E, Illarionov B, Schweizer W, Hirsch A, Fischer M, Bacher A, Diederich F (2013)

DOI: 10.1002/EJOC.201201467

Exploiting specific interactions toward next-generation polymeric drug transporters

Wieczorek S, Krause E, Hackbarth S, Röder B, Hirsch A, Börner H (2013)

Journal of the American Chemical Society 135 (5): 1711-4DOI: 10.1021/ja311895z

2012

Total synthesis of (-)-doliculide, structure-activity relationship studies and its binding to F-actin

Matcha K, Madduri A, Roy S, Ziegler S, Waldmann H, Hirsch A, Minnaard A (2012)

ChemBioChem 13 (17): 2537-48DOI: 10.1002/cbic.201200512

The isoprenoid-precursor dependence of Plasmodium spp

van der Meer J, Hirsch A (2012)

Natural product reports 29 (7): 721-8DOI: 10.1039/c2np20013a

Metal-ion-induced shape switching: Stereoselective formation of a dinuclear Hg(II) double helicate from a hydrazonobis(acylhydrazone) ligand

Schaeffer G, Harrowfield J, Lehn J, Hirsch A (2012)

DOI: 10.1016/J.POLY.2012.04.013

Biodynamers: self-organization-driven formation of doubly dynamic proteoids

Hirsch A, Buhler E, Lehn J (2012)

Journal of the American Chemical Society 134 (9): 4177-83DOI: 10.1021/ja2099134

Exploring the Ribose Sub-Pocket of the Substrate-Binding Site in Escherichia coli IspE: Structure-Based Design, Synthesis, and Biological Evaluation of Cytosines and Cytosine Analogues

Schütz A, Osawa S, Mathis J, Hirsch A, Bernet B, Illarionov B, Fischer M, Bacher A, Diederich F (2012)

DOI: 10.1002/EJOC.201200296

2009

Bioconjugates to specifically render inhibitors water-soluble

Hirsch A, Diederich F, Antonietti M, Börner H (2009)

Soft Matter 6 (1): 88-91DOI: 10.1039/B915928B

2008

The Non-Mevalonate Pathway to Isoprenoid Biosynthesis: A Potential Source of New Drug Targets

Hirsch A, Diederich F (2008)

CHIMIA 62 (4): 226-230DOI: 10.2533/chimia.2008.226

Synthesis and characterization of cytidine derivatives that inhibit the kinase IspE of the non-mevalonate pathway for isoprenoid biosynthesis

Crane C, Hirsch A, Alphey M, Sgraja T, Lauw S, Illarionova V, Rohdich F, Eisenreich W, Hunter W, Bacher A, Diederich F (2008)

ChemMedChem 3 (1): 91-101DOI: 10.1002/cmdc.200700208

Inhibitors of the kinase IspE: structure-activity relationships and co-crystal structure analysis

Hirsch A, Alphey M, Lauw S, Seet M, Barandun L, Eisenreich W, Rohdich F, Hunter W, Bacher A, Diederich F (2008)

Organic & biomolecular chemistry 6 (15): 2719-30DOI: 10.1039/b804375b

2007

Phosphate recognition in structural biology

Hirsch A, Fischer F, Diederich F (2007)

Angewandte Chemie (International ed. in English) 46 (3): 338-52DOI: 10.1002/anie.200603420

Nonphosphate inhibitors of IspE protein, a kinase in the non-mevalonate pathway for isoprenoid biosynthesis and a potential target for antimalarial therapy

Hirsch A, Lauw S, Gersbach P, Schweizer W, Rohdich F, Eisenreich W, Bacher A, Diederich F (2007)

ChemMedChem 2 (6): 806-10DOI: 10.1002/cmdc.200700014

2006

Double conjugate addition of dithiols to propargylic carbonyl systems to generate protected 1,3-dicarbonyl compounds

Sneddon H, van den Heuvel A, Hirsch A, Booth R, Shaw D, Gaunt M, Ley S (2006)

The Journal of organic chemistry 71 (7): 2715-25DOI: 10.1021/jo052514s