Detalhe da pesquisa
1.
Lead optimization and biological evaluation of diazenylbenzenesulfonamides inhibitors against glyoxalase-I enzyme as potential anticancer agents.
Bioorg Chem
; 120: 105657, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-35152183
2.
The design of TOPK inhibitors using structure-based pharmacophore modeling and molecular docking based on an MD-refined homology model.
Mol Divers
; 26(5): 2679-2702, 2022 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-35031933
3.
1,2,3-Triazolyl-tetrahydropyrimidine Conjugates as Potential Sterol Carrier Protein-2 Inhibitors: Larvicidal Activity against the Malaria Vector Anopheles arabiensis and In Silico Molecular Docking Study.
Molecules
; 27(9)2022 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35566029
4.
Evaluation of EDTA Dianhydride Versus Diphenyl Carbonate Nanosponges for Curcumin.
AAPS PharmSciTech
; 23(7): 229, 2022 Aug 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-35974237
5.
In vitro anti-TB properties, in silico target validation, molecular docking and dynamics studies of substituted 1,2,4-oxadiazole analogues against Mycobacterium tuberculosis.
J Enzyme Inhib Med Chem
; 36(1): 869-884, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34060396
6.
Anti-tubercular activity and molecular docking studies of indolizine derivatives targeting mycobacterial InhA enzyme.
J Enzyme Inhib Med Chem
; 36(1): 1472-1487, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34210233
7.
Design, synthesis and biological evaluation of novel glyoxalase I inhibitors possessing diazenylbenzenesulfonamide moiety as potential anticancer agents.
Bioorg Med Chem
; 28(16): 115608, 2020 08 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32690268
8.
Identification of Human Leukotriene A4 Hydrolase Inhibitors Using Structure-Based Pharmacophore Modeling and Molecular Docking.
Molecules
; 25(12)2020 Jun 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-32580506
9.
Discovery of a nanomolar inhibitor of the human glyoxalase-I enzyme using structure-based poly-pharmacophore modelling and molecular docking.
J Comput Aided Mol Des
; 33(9): 799-815, 2019 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-31630312
10.
Computational and experimental exploration of the structure-activity relationships of flavonoids as potent glyoxalase-I inhibitors.
Drug Dev Res
; 79(2): 58-69, 2018 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29285772
11.
Experimental and Computational Comparative Study of the Supercritical Fluid Technology (SFT) and Kneading Method in Preparing ß-Cyclodextrin Complexes with Two Essential Oils (Linalool and Carvacrol).
AAPS PharmSciTech
; 19(3): 1037-1047, 2018 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-29134578
12.
The design of TOPK inhibitors using similarity search, molecular docking, and MD simulations.
J Biomol Struct Dyn
; : 1-12, 2024 Feb 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-38358833
13.
Synthesis, characterization and larvicidal studies of ethyl 3-benzoyl-7-(piperidin-1-yl)indolizine-1-carboxylate analogues against Anopheles arabiensis and cheminformatics approaches.
J Biomol Struct Dyn
; : 1-13, 2024 Feb 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38315452
14.
Synthesis, biological evaluation, and computational investigation of ethyl 2,4,6-trisubstituted-1,4-dihydropyrimidine-5-carboxylates as potential larvicidal agents against Anopheles arabiensis.
J Biomol Struct Dyn
; : 1-13, 2023 Jun 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37259506
15.
Weak complexation of 5-fluorouracil with ß-cyclodextrin, carbonate, and dianhydride crosslinked ß-cyclodextrin: in vitro and in silico studies.
Res Pharm Sci
; 17(4): 334-349, 2022 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-36034082
16.
The impact of cycleanine in cancer research: a computational study.
J Mol Model
; 28(11): 340, 2022 Oct 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-36194315
17.
Antitubercular, Cytotoxicity, and Computational Target Validation of Dihydroquinazolinone Derivatives.
Antibiotics (Basel)
; 11(7)2022 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35884084
18.
Tackling COVID-19: identification of potential main protease inhibitors via structural analysis, virtual screening, molecular docking and MM-PBSA calculations.
J Biomol Struct Dyn
; 39(17): 6689-6704, 2021 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-32734828
19.
Ellagic acid: A potent glyoxalase-I inhibitor with a unique scaffold.
Acta Pharm
; 71(1): 115-130, 2021 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32697740
20.
Tuberculosis: An Update on Pathophysiology, Molecular Mechanisms of Drug Resistance, Newer Anti-TB Drugs, Treatment Regimens and Host- Directed Therapies.
Curr Top Med Chem
; 21(6): 547-570, 2021.
Artigo
em Inglês
| MEDLINE | ID: mdl-33319660