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Domain adaptable language modeling of chemical compounds identifies potent pathoblockers for Pseudomonas aeruginosa
Publication
Kallergis G,
Asgari E,
Empting M,
Hirsch A,
Klawonn F,
McHardy A
(2025)
Commun. Chem., 8, 1, 10.1038/s42004-025-01484-4, 40216964
Commun. Chem., 8, 1, 10.1038/s42004-025-01484-4, 40216964
Positive Charge in an Antimalarial Compound Unlocks Broad-Spectrum Antibacterial Activity
Publication
Braun-Cornejo M,
Platteschorre M,
Vries V,
Bravo P,
Sonawane V,
Hamed M,
Haupenthal J,
Reiling N,
Rottmann M,
Piet D,
Maas P,
Diamanti E,
Hirsch A
(2025)
JACS Au, 5, 3, 1146-1156, 10.1021/jacsau.4c00935, 40151263
JACS Au, 5, 3, 1146-1156, 10.1021/jacsau.4c00935, 40151263
A Novel Antimalarial Agent that Inhibits Protein Synthesis in Plasmodium falciparum
Publication
Bravo P,
Diamanti E,
Hamed M,
Bizzarri L,
Wiedemar N,
Passecker A,
Brancucci N,
Albisetti A,
Gumpp C,
Illarionov B,
Fischer M,
Witschel M,
Schehl T,
Hahne H,
Mäser P,
Rottmann M,
Hirsch A
(2025)
Angew. Chem. Int. Ed., 10.1002/anie.202514085, 41116297
Angew. Chem. Int. Ed., 10.1002/anie.202514085, 41116297
Development of Fragment-Based Inhibitors of the Bacterial Deacetylase LpxC with Low Nanomolar Activity
Publication
Mielniczuk S,
Hoff K,
Baselious F,
Li Y,
Haupenthal J,
Kany A,
Riedner M,
Rohde H,
Rox K,
Hirsch A,
Krimm I,
Sippl W,
Holl R
(2024)
Journal of medicinal chemistry, 67, 19, 17363-17391, 10.1021/acs.jmedchem.4c01262, 39303295
Journal of medicinal chemistry, 67, 19, 17363-17391, 10.1021/acs.jmedchem.4c01262, 39303295
Novel 6-hydroxybenzothiazol-2-carboxamides as potent and selective monoamine oxidase B inhibitors endowed with neuroprotective activity
Publication
Al-Saad O,
Gabr M,
Darwish S,
Rullo M,
Pisani L,
Miniero D,
Liuzzi G,
Kany A,
Hirsch A,
Abadi A,
Engel M,
Catto M,
Abdel-Halim M
(2024)
European journal of medicinal chemistry, 10.1016/j.ejmech.2024.116266
European journal of medicinal chemistry, 10.1016/j.ejmech.2024.116266
Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes
Publication
Chen X,
Zhao H,
Wang C,
Hamed M,
Shang Q,
Yang Y,
Diao X,
Sun X,
Hu W,
Jiang X,
Zhang Y,
Hirsch A,
Wu D,
Zhuang J
(2024)
Int. J. Antimicrob. Agents, 63, 5, 10.1016/j.ijantimicag.2024.107160, 38537721
Int. J. Antimicrob. Agents, 63, 5, 10.1016/j.ijantimicag.2024.107160, 38537721
Cryo-EM structure of 1-deoxy-D-xylulose 5-phosphate synthase DXPS from Plasmodium falciparum reveals a distinct N-terminal domain
Publication
Gawriljuk V,
Godoy A,
Oerlemans R,
Welker L,
Hirsch A,
Groves M
(2024)
Nat. Commun., 15, 1, 10.1038/s41467-024-50671-9, 39103329
Nat. Commun., 15, 1, 10.1038/s41467-024-50671-9, 39103329
Fragment Discovery by X-Ray Crystallographic Screening Targeting the CTP Binding Site of Pseudomonas Aeruginosa IspD
Publication
Willocx D,
D'Auria L,
Walsh D,
Scherer H,
Alhayek A,
Hamed M,
Borel F,
Diamanti E,
Hirsch A
(2024)
Angew. Chem., Int. Ed. Engl., 10.1002/anie.202414615, 39676054
Angew. Chem., Int. Ed. Engl., 10.1002/anie.202414615, 39676054
From Dyrk1A inhibitors to a novel class of antiviral agents: Targeting Enterovirus EV-A71 with 2-aryl-substituted thiophene scaffolds
Publication
Keddis P,
My Tu T,
Scherer H,
Kany A,
Hafez D,
Darwish S,
Abadi A,
Hirsch A,
Engel M,
Hamed M,
Horng J,
Abdel-Halim M
(2025)
Eur. J. Med. Chem., 287, 10.1016/j.ejmech.2025.117348, 39947051
Eur. J. Med. Chem., 287, 10.1016/j.ejmech.2025.117348, 39947051
Apo structure of Mycobacterium tuberculosis 1-deoxy-d-xylulose 5-phosphate synthase DXPS: Dynamics and implications for inhibitor design
Publication
Gawriljuk V,
Alhayek A,
Hirsch A,
Groves M
(2025)
Biochemical and Biophysical Research Communications, 747, 10.1016/j.bbrc.2024.151246
Biochemical and Biophysical Research Communications, 747, 10.1016/j.bbrc.2024.151246