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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
Targeting IspD for Anti-infective and Herbicide Development: Exploring Its Role, Mechanism, and Structural Insights
Publication
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
Lignin-derived guaiacols as platform chemicals for the modular synthesis of 1,2,3,4-tetrahydroquinolines and benzomorpholines
Publication
Castillo-Garcia A,
Haupenthal J,
Hirsch A,
Barta K
(2025)
RSC sustainability, 3, 9, 4039-4048, 10.1039/d5su00151j, 40686926
RSC sustainability, 3, 9, 4039-4048, 10.1039/d5su00151j, 40686926
Role of Electrostatics in Metal–Organic Junctions on Surfaces: para -Hexaphenyl-dicarbonitrile on Au(111)
Publication
Pérez Paz A,
Mowbray D,
Gottardi S,
Solianyk L,
Li J,
Monjas L,
Hirsch A,
Stöhr M,
Moreno-López J
(2025)
Chem. Mater., 37, 18, 7115-7124, 10.1021/acs.chemmater.5c01172
Chem. Mater., 37, 18, 7115-7124, 10.1021/acs.chemmater.5c01172
Targeting isoprenoid-precursor biosynthesis in Klebsiella pneumoniae: Design, synthesis and evaluation of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) inhibitors
Publication
Eisa S,
Lacour A,
Johannsen S,
Hamid R,
Raj P,
Heinz D,
Hamed M,
Diamanti E,
Hirsch A
(2025)
Bioorg. Chem., 164, 10.1016/j.bioorg.2025.108877, 40845551
Bioorg. Chem., 164, 10.1016/j.bioorg.2025.108877, 40845551
Design, Synthesis, and Biological Evaluation of Mono- and Diamino-Substituted Squaramide Derivatives as Potent Inhibitors of Mycobacterial Adenosine Triphosphate (ATP) Synthase
Publication
Palme P,
Grover S,
Abdelaziz R,
Mann L,
Kany A,
Ouologuem L,
Bartel K,
Sonnenkalb L,
Reiling N,
Hirsch A,
Schnappinger D,
Rubinstein J,
Imming P,
Richter A
(2025)
J. Med. Chem., 68, 23, 25274-25289, 10.1021/acs.jmedchem.5c02284, 41277442
J. Med. Chem., 68, 23, 25274-25289, 10.1021/acs.jmedchem.5c02284, 41277442
1-Deoxy-D-xylulose 5-phosphate synthase: structural perspectives on an essential enzyme in isoprenoid biosynthesis
Publication
Gawriljuk V,
Oerlemans R,
Reddem E,
Gierse R,
Hirsch A,
Groves M
(2025)
J. Struct. Biol., 217, 3, 10.1016/j.jsb.2025.108236, 40784416
J. Struct. Biol., 217, 3, 10.1016/j.jsb.2025.108236, 40784416
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
Modular synthetic routes to biologically active indoles from lignin
Publication
Castillo-Garcia A,
Haupenthal J,
Hirsch A,
Barta K
(2025)
Green Chem., 27, 25, 7506-7512, 10.1039/d5gc01003a, 40510740
Green Chem., 27, 25, 7506-7512, 10.1039/d5gc01003a, 40510740
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