Detalhe da pesquisa
1.
Interactions of angiotensin-converting enzyme-2 (ACE2) and SARS-CoV-2 spike receptor-binding domain (RBD): a structural perspective.
Mol Biol Rep
; 50(3): 2713-2721, 2023 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-36562937
2.
Repurposing the in-house generated Alzheimer's disease targeting molecules through computational and preliminary in-vitro studies for the management of SARS-coronavirus-2.
Mol Divers
; 2023 Sep 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37749454
3.
Computational Insight Into the Mechanism of SARS-CoV-2 Membrane Fusion.
J Chem Inf Model
; 61(1): 423-431, 2021 01 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33412850
4.
Identification of high affinity and low molecular alternatives of boceprevir against SARS-CoV-2 main protease: A virtual screening approach.
Chem Phys Lett
; 770: 138446, 2021 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-33623170
5.
Hydrophobicity and oligomerization are essential parameters for membrane penetration activity of the VP4 peptide from Hepatitis A Virus (HAV).
Arch Biochem Biophys
; 678: 108188, 2019 12 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-31711790
6.
Structural investigations of the palmitoylated F13 envelope protein of Mpox virus.
J Med Virol
; 95(5): e28798, 2023 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37212328
7.
Attenuation of quorum sensing controlled virulence factors and biofilm formation in Pseudomonas aeruginosa by pentacyclic triterpenes, betulin and betulinic acid.
Microb Pathog
; 118: 48-60, 2018 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-29526565
8.
Cinnamic acid attenuates quorum sensing associated virulence factors and biofilm formation in Pseudomonas aeruginosa PAO1.
Biotechnol Lett
; 40(7): 1087-1100, 2018 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-29680931
9.
A computational assessment of pH-dependent differential interaction of T7 lysozyme with T7 RNA polymerase.
BMC Struct Biol
; 17(1): 7, 2017 05 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-28545576
10.
Structure and energetics guide dynamic behaviour in a T = 3 icosahedral virus capsid.
Biophys Chem
; 305: 107152, 2024 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-38113782
11.
Targeting two potential sites of SARS-CoV-2 main protease through computational drug repurposing.
J Biomol Struct Dyn
; 41(7): 3014-3024, 2023 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35266856
12.
Structure-based drug designing against Leishmania donovani using docking and molecular dynamics simulation studies: exploring glutathione synthetase as a drug target.
J Biomol Struct Dyn
; : 1-9, 2023 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-37491862
13.
The application of MD simulation to lead identification, vaccine design, and structural studies in combat against leishmaniasis - A review.
Mini Rev Med Chem
; 2023 Sep 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37680156
14.
MERS virus spike protein HTL-epitopes selection and multi-epitope vaccine design using computational biology.
J Biomol Struct Dyn
; 41(22): 12464-12479, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-36935104
15.
Unravelling viral dynamics through molecular dynamics simulations - A brief overview.
Biophys Chem
; 291: 106908, 2022 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-36244086
16.
A computational prediction of SARS-CoV-2 structural protein inhibitors from Azadirachta indica (Neem).
J Biomol Struct Dyn
; 39(11): 4111-4121, 2021 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32462988
17.
In silico identification of Tretinoin as a SARS-CoV-2 envelope (E) protein ion channel inhibitor.
Comput Biol Med
; 127: 104063, 2020 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-33126128
18.
Anti-quorum sensing and anti-biofilm activity of 5-hydroxymethylfurfural against Pseudomonas aeruginosa PAO1: Insights from in vitro, in vivo and in silico studies.
Microbiol Res
; 226: 19-26, 2019 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-31284940
19.
The highly efficient T7 RNA polymerase: A wonder macromolecule in biological realm.
Int J Biol Macromol
; 118(Pt A): 49-56, 2018 Oct 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-29847782
20.
An in-silico glimpse into the pH dependent structural changes of T7 RNA polymerase: a protein with simplicity.
Sci Rep
; 7(1): 6290, 2017 07 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28740191