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1.
Novel and potent inhibitors for dihydropteroate synthase of Helicobacter pylori.
J Recept Signal Transduct Res
; 40(3): 246-256, 2020 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-32098568
2.
An in silico study: Novel targets for potential drug and vaccine design against drug resistant H. pylori.
Microb Pathog
; 122: 156-161, 2018 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-29800696
3.
Inhibitor design against JNK1 through e-pharmacophore modeling docking and molecular dynamics simulations.
J Recept Signal Transduct Res
; 36(6): 558-571, 2016 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-26906522
4.
In Silico Insights into the Arsenic Binding Mechanism Deploying Application of Computational Biology-Based Toolsets.
ACS Omega
; 9(7): 7529-7544, 2024 Feb 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-38405466
5.
Virtual screening and invitro evaluation of cyclooxygenase inhibitors from Tinospora cordifolia using the machine learning tool.
J Biomol Struct Dyn
; : 1-15, 2023 Oct 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-37904339
6.
In silico trials to design potent inhibitors against matrilysin (MMP-7).
J Biomol Struct Dyn
; 40(22): 11851-11862, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-34405760
7.
Molecular Characterization and Identification of Potential Inhibitors for 'E' Protein of Dengue Virus.
Viruses
; 14(5)2022 04 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-35632682
8.
In silico exploration of lignin peroxidase for unraveling the degradation mechanism employing lignin model compounds.
RSC Adv
; 11(24): 14632-14653, 2021 Apr 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-35423962
9.
Hierarchical-Clustering, Scaffold-Mining Exercises and Dynamics Simulations for Effectual Inhibitors Against Lipid-A Biosynthesis of Helicobacter pylori.
Cell Mol Bioeng
; 12(3): 255-274, 2019 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-31719913
10.
In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori strains.
J Mol Graph Model
; 92: 167-179, 2019 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-31376734
11.
Integration of core hopping, quantum-mechanics, molecular mechanics coupled binding-energy estimations and dynamic simulations for fragment-based novel therapeutic scaffolds against Helicobacter pylori strains.
Comput Biol Chem
; 83: 107126, 2019 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-31557645
12.
Epitope-driven common subunit vaccine design against H. pylori strains.
J Biomol Struct Dyn
; 37(14): 3740-3750, 2019 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-30580658
13.
In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato.
Front Pharmacol
; 9: 1038, 2018.
Artículo
en Inglés
| MEDLINE | ID: mdl-30405403
14.
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