Detalhe da pesquisa
1.
Quantum Dynamics and Bi Metal Force Field Parameterization Yielding Significant Antileishmanial Targets.
J Chem Inf Model
; 63(4): 1371-1385, 2023 02 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-36730993
2.
Non-ß Lactam Inhibitors of the Serine ß-Lactamase blaCTX-M15 in Drug-Resistant Salmonella typhi.
J Chem Inf Model
; 63(21): 6681-6695, 2023 11 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-37847018
3.
In Silico and In Vitro Study of Janus Kinases Inhibitors from Naphthoquinones.
Molecules
; 28(2)2023 Jan 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-36677654
4.
Structural characterization and antileishmanial activity of newly synthesized organo-bismuth(V) carboxylates: experimental and molecular docking studies.
J Biol Inorg Chem
; 27(1): 175-187, 2022 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-34981207
5.
A computational subtractive genome analysis for the characterization of novel drug targets in Klebsiella pneumonia strain PittNDM01.
Microb Pathog
; 146: 104245, 2020 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-32423883
6.
Deciphering the Inhibition Mechanism of under Trial Hsp90 Inhibitors and Their Analogues: A Comparative Molecular Dynamics Simulation.
J Chem Inf Model
; 60(8): 3812-3830, 2020 08 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-32659088
7.
A combine approach of chemical synthesis, biological evaluation and structural dynamics studies revealed thiazole substituted arylamine derivatives as potent FabH enzyme inhibitors.
Bioorg Chem
; 105: 104426, 2020 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33161255
8.
Immunoinformatics characterization of SARS-CoV-2 spike glycoprotein for prioritization of epitope based multivalent peptide vaccine.
J Mol Liq
; 314: 113612, 2020 Sep 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-32834259
9.
Identification of putative non-host essential genes and novel drug targets against Acinetobacter baumannii by in silico comparative genome analysis.
Microb Pathog
; 128: 28-35, 2019 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-30550846
10.
Visualizing protein-ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site.
J Comput Aided Mol Des
; 33(5): 461-475, 2019 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-30989572
11.
Subtractive proteomics and immunoinformatics revealed novel B-cell derived T-cell epitopes against Yersinia enterocolitica: An etiological agent of Yersiniosis.
Microb Pathog
; 125: 336-348, 2018 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-30273644
12.
Subtractive genome analysis for in silico identification and characterization of novel drug targets in Streptococcus pneumonia strain JJA.
Microb Pathog
; 115: 194-198, 2018 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-29277475
13.
Antiproliferative, antioxidant and binding mechanism analysis of prodigiosin from newly isolated radio-resistant Streptomyces sp. strain WMA-LM31.
Mol Biol Rep
; 45(6): 1787-1798, 2018 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-30306508
14.
Proteome-wide identification of epitope-based vaccine candidates against multi-drug resistant Proteus mirabilis.
Biologicals
; 55: 27-37, 2018 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-30078661
15.
Towards a peptide-based vaccine against Shigella sonnei: A subtractive reverse vaccinology based approach.
Biologicals
; 50: 87-99, 2017 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-28826780
16.
Benzimidazole derivatives as new α-glucosidase inhibitors and in silico studies.
Bioorg Chem
; 64: 29-36, 2016 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-26637946
17.
An insight into the exploration of druggable genome of Streptococcus gordonii for the identification of novel therapeutic candidates.
Genomics
; 104(3): 203-14, 2014 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-25068724
18.
Structure and dynamics studies of sterol 24-C-methyltransferase with mechanism based inactivators for the disruption of ergosterol biosynthesis.
Mol Biol Rep
; 41(7): 4279-93, 2014 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-24574002
19.
Comparative modeling and virtual screening for the identification of novel inhibitors for myo-inositol-1-phosphate synthase.
Mol Biol Rep
; 41(8): 5039-52, 2014 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-24752405
20.
Three-state dynamics of zinc(II) complexes yielding significant antidiabetic targets.
J Mol Graph Model
; 127: 108665, 2024 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-38029632