Detalhe da pesquisa
1.
IspH inhibitors kill Gram-negative bacteria and mobilize immune clearance.
Nature
; 589(7843): 597-602, 2021 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-33361818
2.
New boronate drugs and evolving NDM-mediated beta-lactam resistance.
Antimicrob Agents Chemother
; 67(9): e0057923, 2023 09 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37650617
3.
In vitro potency of xeruborbactam in combination with multiple ß-lactam antibiotics in comparison with other ß-lactam/ß-lactamase inhibitor (BLI) combinations against carbapenem-resistant and extended-spectrum ß-lactamase-producing Enterobacterales.
Antimicrob Agents Chemother
; 67(11): e0044023, 2023 11 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-37800963
4.
Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules.
J Chem Inf Model
; 62(23): 5896-5906, 2022 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-36456533
5.
Broad-spectrum cyclic boronate ß-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg Med Chem
; 62: 116722, 2022 05 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35358864
6.
Retraction Note: IspH inhibitors kill Gram-negative bacteria and mobilize immune clearance.
Nature
; 599(7885): 518, 2021 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34580487
7.
An HIV Vaccine Targeting the V2 Region of the HIV Envelope Induces a Highly Durable Polyfunctional Fc-Mediated Antibody Response in Rhesus Macaques.
J Virol
; 94(17)2020 08 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-32554699
8.
Biochemical Characterization of QPX7728, a New Ultrabroad-Spectrum Beta-Lactamase Inhibitor of Serine and Metallo-Beta-Lactamases.
Antimicrob Agents Chemother
; 64(6)2020 05 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32152086
9.
Structural Basis and Binding Kinetics of Vaborbactam in Class A ß-Lactamase Inhibition.
Antimicrob Agents Chemother
; 64(10)2020 09 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32778546
10.
In Vitro Activity of the Ultra-Broad-Spectrum Beta-Lactamase Inhibitor QPX7728 in Combination with Meropenem against Clinical Isolates of Carbapenem-Resistant Acinetobacter baumannii.
Antimicrob Agents Chemother
; 64(11)2020 10 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-32868334
11.
Spectrum of Beta-Lactamase Inhibition by the Cyclic Boronate QPX7728, an Ultrabroad-Spectrum Beta-Lactamase Inhibitor of Serine and Metallo-Beta-Lactamases: Enhancement of Activity of Multiple Antibiotics against Isogenic Strains Expressing Single Beta-Lactamases.
Antimicrob Agents Chemother
; 64(6)2020 05 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32229489
12.
Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3.
J Comput Aided Mol Des
; 33(1): 35-46, 2019 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-30094533
13.
Macrocycle modeling in ICM: benchmarking and evaluation in D3R Grand Challenge 4.
J Comput Aided Mol Des
; 33(12): 1057-1069, 2019 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-31598897
14.
Plasticity and Epitope Exposure of the HIV-1 Envelope Trimer.
J Virol
; 91(17)2017 09 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28615206
15.
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach.
J Comput Aided Mol Des
; 32(1): 187-198, 2018 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-28887659
16.
Bivalent Carbamates as Novel Control Agents of the Malaria Mosquito, Anopheles gambiae.
Chimia (Aarau)
; 70(10): 704-708, 2016 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-27779928
17.
Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins
; 83(12): 2124-36, 2015 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-26033498
18.
Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase.
Bioorg Med Chem Lett
; 25(20): 4405-11, 2015 Oct 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-26386602
19.
3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae.
Bioorg Med Chem
; 23(6): 1321-40, 2015 Mar 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-25684426
20.
Efficient Generation of Conformer Ensembles Using Internal Coordinates and a Generative Directional Graph Convolution Neural Network.
J Chem Theory Comput
; 20(9): 4054-4063, 2024 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38669307