Detalhe da pesquisa
1.
Illuminating the structural basis of human neurokinin 1 receptor (NK1R) antagonism through classical all-atoms molecular dynamics simulations.
J Cell Biochem
; 124(11): 1848-1869, 2023 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37942587
2.
Drug repurposing for Mpox: Discovery of small molecules as potential inhibitors against DNA-dependent RNA polymerase using molecular modeling approach.
J Cell Biochem
; 124(5): 701-715, 2023 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-36946432
3.
Difference in acute and chronic stage ischemic stroke metabolic markers with controls.
J Stroke Cerebrovasc Dis
; 32(8): 107211, 2023 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-37331250
4.
Molecular and disease association of gestational diabetes mellitus affected mother and placental datasets reveal a strong link between insulin growth factor (IGF) genes in amino acid transport pathway: A network biology approach.
J Cell Biochem
; 120(2): 1577-1587, 2019 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-30335885
5.
Designing of an epitope-based peptide vaccine against walking pneumonia: an immunoinformatics approach.
Mol Biol Rep
; 46(1): 511-527, 2019 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-30465133
6.
Lipid and cholesterols modulate the dynamics of SARS-CoV-2 viral ion channel ORF3a and its pathogenic variants.
Int J Biol Macromol
; 254(Pt 3): 127986, 2024 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-37944718
7.
Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein.
Comput Biol Chem
; 110: 108070, 2024 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-38678726
8.
All-atoms molecular dynamics study to screen potent efflux pump inhibitors against KpnE protein of Klebsiella pneumoniae.
J Biomol Struct Dyn
; 42(7): 3492-3506, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-37218086
9.
Polygenic Risk Score Assessment for Coronary Artery Disease in Asian Indians.
J Cardiovasc Transl Res
; 2024 Apr 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-38658478
10.
Molecular docking and MD simulations reveal protease inhibitors block the catalytic residues in Prp8 intein of Aspergillus fumigatus: a potential target for antimycotics.
J Biomol Struct Dyn
; : 1-16, 2023 Dec 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38149850
11.
Discovery and validation of circulating stroke metabolites by NMR-based analyses using patients from the MISS and UK Biobank.
Neurochem Int
; 169: 105588, 2023 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37499945
12.
An immunoinformatic approach towards development of a potent and effective multi-epitope vaccine against monkeypox virus (MPXV).
J Biomol Struct Dyn
; 41(21): 11714-11727, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36591724
13.
Exploiting the potential of natural polyphenols as antivirals against monkeypox envelope protein F13 using machine learning and all-atoms MD simulations.
Comput Biol Med
; 162: 107116, 2023 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-37302336
14.
Comparison of Acute and Chronic Stage Ischemic Stroke Metabolome with Controls.
Res Sq
; 2023 Jan 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-36778444
15.
Machine learning and classical MD simulation to identify inhibitors against the P37 envelope protein of monkeypox virus.
J Biomol Struct Dyn
; : 1-14, 2023 May 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37221882
16.
Assessing the prediction of type 2 diabetes risk using polygenic and clinical risk scores in South Asian study populations.
Ther Adv Endocrinol Metab
; 14: 20420188231220120, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-38152657
17.
Diabetes mellitus susceptibility with varied diseased phenotypes and its comparison with phenome interactome networks.
World J Clin Cases
; 10(18): 5957-5964, 2022 Jun 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-35949812
18.
Ethnic differences in ApoC-III concentration and the risk of cardiovascular disease: No evidence for the cardioprotective role of rare/loss of function APOC3 variants in non-Europeans.
Am Heart J Plus
; 132022 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-35528316
19.
Naringenin and quercetin--potential anti-HCV agents for NS2 protease targets.
Nat Prod Res
; 30(4): 464-8, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-25774442