Detalhe da pesquisa
1.
Signal Propagation in the ATPase Domain of Mycobacterium tuberculosis DNA Gyrase from Dynamical-Nonequilibrium Molecular Dynamics Simulations.
Biochemistry
; 2024 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-38742407
2.
Bioisosteric Design Identifies Inhibitors of Mycobacterium tuberculosis DNA Gyrase ATPase Activity.
J Chem Inf Model
; 63(9): 2707-2718, 2023 05 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37074047
3.
A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase.
Phys Chem Chem Phys
; 25(12): 8767-8778, 2023 Mar 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-36912034
4.
Stepwise Access of Emissive Ir(III) Complexes Bearing a Multi-Dentate Heteroaromatic Chelate: Fundamentals and Applications.
Inorg Chem
; 61(10): 4384-4393, 2022 Mar 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35243862
5.
Identification of Potent DNA Gyrase Inhibitors Active against Mycobacterium tuberculosis.
J Chem Inf Model
; 62(7): 1680-1690, 2022 04 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35347987
6.
Virtual Screening Identifies Novel and Potent Inhibitors of Mycobacterium tuberculosis PknB with Antibacterial Activity.
J Chem Inf Model
; 62(24): 6508-6518, 2022 12 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-35994014
7.
Computational design, synthesis and biological evaluation of PDE5 inhibitors based on N2,N4-diaminoquinazoline and N2,N6-diaminopurine scaffolds.
Bioorg Med Chem
; 76: 117092, 2022 12 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-36450167
8.
Biophysical Characterization of Novel DNA Aptamers against K103N/Y181C Double Mutant HIV-1 Reverse Transcriptase.
Molecules
; 27(1)2022 Jan 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35011517
9.
Characterization of New DNA Aptamers for Anti-HIV-1 Reverse Transcriptase.
Chembiochem
; 22(5): 915-923, 2021 03 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-33095511
10.
Preparation, biological & cheminformatics-based assessment of N2,N4-diphenylpyrimidine-2,4-diamine as potential Kinase-targeted antimalarials.
Bioorg Med Chem
; 46: 116348, 2021 09 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-34479064
11.
Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.
J Chem Inf Model
; 60(1): 226-234, 2020 01 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-31820972
12.
Design, synthesis and evaluation of N2,N4-diaminoquinazoline based inhibitors of phosphodiesterase type 5.
Bioorg Med Chem Lett
; 29(2): 267-270, 2019 01 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30509781
13.
Simulations of Shikimate Dehydrogenase from Mycobacterium tuberculosis in Complex with 3-Dehydroshikimate and NADPH Suggest Strategies for MtbSDH Inhibition.
J Chem Inf Model
; 59(4): 1422-1433, 2019 04 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-30840825
14.
Elucidation of Vasodilation Response and Structure Activity Relationships of N²,N4-Disubstituted Quinazoline 2,4-Diamines in a Rat Pulmonary Artery Model.
Molecules
; 24(2)2019 Jan 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-30646523
15.
Synthesis and evaluation of the NSCLC anti-cancer activity and physical properties of 4-aryl-N-phenylpyrimidin-2-amines.
Bioorg Med Chem Lett
; 27(20): 4749-4754, 2017 10 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-28927795
16.
Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches.
J Comput Aided Mol Des
; 30(6): 471-88, 2016 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-27314501
17.
Mass Spectrometric Characterization of HIV-1 Reverse Transcriptase Interactions with Non-nucleoside Reverse Transcriptase Inhibitors.
Biol Pharm Bull
; 39(3): 450-4, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26934936
18.
Skin sensitization prediction using quantum chemical calculations: a theoretical model for the S(N)Ar domain.
Chem Res Toxicol
; 27(1): 51-60, 2014 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-24410586
19.
Photophysical properties and photochemistry of substituted cinnamates and cinnamic acids for UVB blocking: effect of hydroxy, nitro, and fluoro substitutions at ortho, meta, and para positions.
Photochem Photobiol Sci
; 13(3): 583-94, 2014 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-24493103
20.
Oligostilbenoids with acetylcholinesterase inhibitory activity from Dipterocarpus alatus.
Planta Med
; 80(17): 1641-6, 2014 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-25317771