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From Dyrk1A inhibitors to a novel class of antiviral agents: Targeting Enterovirus EV-A71 with 2-aryl-substituted thiophene scaffolds
Publikation
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
Publikation
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
Targeting IspD for Anti-infective and Herbicide Development: Exploring Its Role, Mechanism, and Structural Insights
Publikation
Willocx D,
Diamanti E,
Hirsch A
(2025)
Journal of medicinal chemistry, 10.1021/acs.jmedchem.4c01146, 39749898
Journal of medicinal chemistry, 10.1021/acs.jmedchem.4c01146, 39749898
Development of Fragment-Based Inhibitors of the Bacterial Deacetylase LpxC with Low Nanomolar Activity
Publikation
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
Publikation
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
Publikation
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
Publikation
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
Publikation
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
Target-Directed Dynamic Combinatorial Chemistry Affords Binders of Mycobacterium tuberculosis IspE
Publikation
Braun-Cornejo M,
Ornago C,
Sonawane V,
Haupenthal J,
Kany A,
Diamanti E,
Jézéquel G,
Reiling N,
Blankenfeldt W,
Maas P,
Hirsch A
(2024)
ACS omega, 10.1021/acsomega.4c05537
ACS omega, 10.1021/acsomega.4c05537
AI is a viable alternative to high throughput screening: a 318-target study
Publikation
Wallach I,
Hirsch,
Anna K. H. et al.
(2024)
Sci Rep, 14, 1, 10.1038/s41598-024-54655-z, 38565852
Sci Rep, 14, 1, 10.1038/s41598-024-54655-z, 38565852