Detalhe da pesquisa
1.
Intersection of network medicine and machine learning towards investigating the key biomarkers and pathways underlying amyotrophic lateral sclerosis: a systematic review.
Brief Bioinform
; 23(6)2022 11 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-36411673
2.
Identifying the natural polyphenol catechin as a multi-targeted agent against SARS-CoV-2 for the plausible therapy of COVID-19: an integrated computational approach.
Brief Bioinform
; 22(2): 1346-1360, 2021 03 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33386025
3.
Genome-wide analysis of PTR transporters in Candida species and their functional characterization in Candida auris.
Appl Microbiol Biotechnol
; 106(11): 4223-4235, 2022 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-35648145
4.
Genomic landscape of the DHA1 family in Candida auris and mapping substrate repertoire of CauMdr1.
Appl Microbiol Biotechnol
; 106(21): 7085-7097, 2022 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-36184687
5.
Anti-breast cancer action of carbonic anhydrase IX inhibitor 4-[4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-benzylidene-hydrazinocarbonyl]-benzenesulfonamide (BSM-0004): in vitro and in vivo studies.
J Enzyme Inhib Med Chem
; 36(1): 954-963, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-33947294
6.
"Identification of Nafamostat and VR23 as COVID-19 drug candidates by targeting 3CLpro and PLpro."
J Mol Struct
; 1233: 130094, 2021 Jun 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-33612858
7.
Emerging Importance of Tyrosine Kinase Inhibitors against Cancer: Quo Vadis to Cure?
Int J Mol Sci
; 22(21)2021 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34769090
8.
Development of novel carbazole derivatives with effective multifunctional action against Alzheimer's diseases: Design, synthesis, in silico, in vitro and in vivo investigation.
Bioorg Chem
; 95: 103524, 2020 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31918396
9.
TFE-induced local unfolding and fibrillation of SOD1: bridging the experiment and simulation studies.
Biochem J
; 475(10): 1701-1719, 2018 05 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-29686043
10.
Alterations in local stability and dynamics of A4V SOD1 in the presence of trifluoroethanol.
Biopolymers
; 109(3): e23102, 2018 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-29369331
11.
Design, synthesis, in silico and biological evaluation of novel 2-(4-(4-substituted piperazin-1-yl)benzylidene)hydrazine carboxamides.
Mol Divers
; 21(1): 163-174, 2017 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-28039637
12.
Design, synthesis and biological evaluation of N-(5-methyl-isoxazol-3-yl/1,3,4-thiadiazol-2-yl)-4-(3-substitutedphenylureido) benzenesulfonamides as human carbonic anhydrase isoenzymes I, II, VII and XII inhibitors.
J Enzyme Inhib Med Chem
; 31(sup2): 174-179, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-27314170
13.
Monocyclic ß-lactam and unexpected oxazinone formation: synthesis, crystal structure, docking studies and antibacterial evaluation.
J Enzyme Inhib Med Chem
; 31(5): 834-52, 2016 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-26133357
14.
Computational insights into dynamics and conformational stability of N-acetylmannosamine kinase mutations.
J Biomol Struct Dyn
; : 1-11, 2024 Mar 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-38502682
15.
Multitarget action of Benzothiazole-piperazine small hybrid molecule against Alzheimer's disease: In silico, In vitro, and In vivo investigation.
Biomed Pharmacother
; 174: 116484, 2024 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-38565058
16.
Design and synthesis of (4E)-4-(4-substitutedbenzylideneamino)-3-substituted-2,3-dihydro-2-thioxothiazole-5-carbonitrile as novel A2A receptor antagonists.
Bioorg Med Chem
; 21(19): 6077-83, 2013 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-23953686
17.
In silico evaluation of the inhibitory potential of nucleocapsid inhibitors of SARS-CoV-2: a binding and energetic perspective.
J Biomol Struct Dyn
; 41(19): 9797-9807, 2023 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-36379684
18.
Mannose 2, 3, 4, 5, 6-O-pentasulfate (MPS): a partial activator of human heparin cofactor II with anticoagulation potential.
J Biomol Struct Dyn
; 41(9): 3717-3727, 2023 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35343865
19.
Comprehensive mapping of mutations in TDP-43 and α-Synuclein that affect stability and binding.
J Biomol Struct Dyn
; : 1-13, 2023 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38126188
20.
Insilico study of the A(2A)R-D (2)R kinetics and interfacial contact surface for heteromerization.
Amino Acids
; 43(4): 1451-64, 2012 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-22278740