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Prof Dr Anna K. H. Hirsch

About

Anna Hirsch read Natural Sciences with a focus on Chemistry at the University of Cambridge and spent her third year at the Massachusetts Institute of Technology, doing a research project with Prof. Timothy Jamison. For her Master’s project, She carried out her Master’s research project in the group of Prof. Steven V. Ley at the University of Cambridge.

She received her Ph.D. from the ETH Zurich in 2008 and worked on the de novo structure-based design and synthesis of inhibitors for an anti-infective target enzyme in the group of Prof. François Diederich. Subsequently, she joined the group of Prof. Jean-Marie Lehn at the Institut de Science et d’Ingénierie Supramoléculaires (ISIS) in Strasbourg as an HFSP postdoctoral fellow, before taking up a position as assistant professor at the Stratingh Institute for Chemistry at the University of Groningen in 2010 where she was promoted to associate professor in 2015. 

In 2017, she moved to the Helmholtz Institute for Pharmaceutical Research Saarland (HIPS), where she heads the department for drug design and optimization. Her work focuses on anti-infective drug design by adopting rational approaches such as structure- and fragment-based drug design in combination with the target-guided strategies dynamic combinatorial chemistry and kinetic target-guided synthesis. 

Anna Hirsch was awarded the Gratama Science Prize in 2014, the SCT-Servier Prize for Medicinal Chemistry in 2015, the Innovation Prize for Medicinal Chemistry of the GdCh/DPhG in 2017 and in 2019 the EFMC Young Medicinal Chemist in Academia Prize (runner-up)
 


2021

Front Cover: 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)

ChemMedChemDOI: 10.1002/cmdc.202100067

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)

Adv. Sci.DOI: 10.1002/advs.202004369

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

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

Frontispiece: 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

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 BioDOI: 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

Xabier Murgia, Andreas M. Kany, Christian Herr, Duy-Khiet Ho, Chiara De Rossi, Robert Bals, Claus-Michael Lehr, Hirsch A, Rolf W. Hartmann, Martin Empting, Teresa Röhrig (2020)

Sci Rep 10 (1): 1-8DOI: 10.1038/s41598-020-73459-5

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

Polymer-Cargo-Complexes compremising cross-linked copolymers and cargo molecules

Lee S, Loretz B, Lehr C, Hirsch A (2020)

Patent

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

Markella Konstantinidou, Francesca Magari, Fandi Sutanto, Jörg Haupenthal, Varsha R. Jumde, M. Yagiz Ünver, Andreas Heine, Carlos Jamie Camacho, Hirsch A, Gerhard Klebe, Alexander Dömling (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

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

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

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

Discovery of Antibacterial Agents Inhibiting the Energy-Coupling Factor (ECF) Transporters by Structure-Based Virtual Screening

Diamanti E, Setyawati I, Bousis S, mojas l, Swier l, Haupenthal J, Gibson P, Volz C, stanek w, Jaeger m, …, slotboom d, Hirsch A (2020)

BookDOI: 10.26434/chemrxiv.11728710.v1

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

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, Guardigni M, Gierse R, Alhayek A, Zhu D, Hamed Z, Johannsen S, Elgaher W, Haupenthal J, Hirsch A (2020)

BookDOI: 10.26434/chemrxiv.12681761.v1

2019

Energy-Coupling Factor Transporters as Novel Antimicrobial Targets

Bousis S, Setyawati I, Diamanti E, slotboom d, Hirsch A (2019)

DOI: 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

Danae Morales Angeles, Yun Liu, Alwin M. Hartman, Marina Borisova, Anabela de Sousa Borges, Niels de Kok, Katrin Beilharz, Jan-Willem Veening, Christoph Mayer, Hirsch A, Dirk-Jan Scheffers (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

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

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