Detalles de la búsqueda
1.
Screening inhibitors against the Ef-Tu of Fusobacterium nucleatum: a docking, ADMET and PBPK assessment study.
Mol Divers
; 2024 Mar 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-38457020
2.
Repositioning of anti-infective compounds against monkeypox virus core cysteine proteinase: a molecular dynamics study.
Mol Divers
; 2024 Apr 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-38652365
3.
Mining therapeutic targets from the antibiotic-resistant Campylobacter coli and virtual screening of natural product inhibitors against its riboflavin synthase.
Mol Divers
; 27(2): 793-810, 2023 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-35699868
4.
Cheminformatics and machine learning approaches for repurposing anti-viral compounds against monkeypox virus thymidylate kinase.
Mol Divers
; 2023 Aug 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-37531040
5.
Anti-tubercular activity evaluation of natural compounds by targeting Mycobacterium tuberculosis resuscitation promoting factor B inhibition: An in silico study.
Mol Divers
; 2023 Mar 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-36964456
6.
In-Silico Screening and Molecular Dynamics Simulation of Drug Bank Experimental Compounds against SARS-CoV-2.
Molecules
; 27(14)2022 Jul 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-35889265
7.
Promising Antimycobacterial Activities of Flavonoids against Mycobacterium sp. Drug Targets: A Comprehensive Review.
Molecules
; 27(16)2022 Aug 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-36014572
8.
Hemi-Babim and Fenoterol as Potential Inhibitors of MPro and Papain-like Protease against SARS-CoV-2: An In-Silico Study.
Medicina (Kaunas)
; 58(4)2022 Apr 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35454354
9.
Identification of Potent Natural Resource Small Molecule Inhibitor to Control Vibrio cholera by Targeting Its Outer Membrane Protein U: An In Silico Approach.
Molecules
; 26(21)2021 Oct 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-34770925
10.
Biocomputational Prediction Approach Targeting FimH by Natural SGLT2 Inhibitors: A Possible Way to Overcome the Uropathogenic Effect of SGLT2 Inhibitor Drugs.
Molecules
; 26(3)2021 Jan 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-33499241
11.
Assessment of renal function among covid-19 patients admitted to the intensive care unit.
Pak J Pharm Sci
; 34(5): 1645-1649, 2021 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-34802997
12.
Subtractive sequence-mediated therapeutic targets from the conserved gene clusters of Campylobacter hyointestinalis and computational inhibition assessment.
J Biomol Struct Dyn
; 42(6): 2782-2792, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-37144725
13.
Molecular screening reveals Variolin B as a multitargeted inhibitor of lung cancer: a molecular docking-based fingerprinting and molecular dynamics simulation study.
J Biomol Struct Dyn
; 42(1): 11-21, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-37771142
14.
Variolin B from sea sponge against lung cancer: a multitargeted molecular docking with fingerprinting and molecular dynamics simulation study.
J Biomol Struct Dyn
; 42(7): 3507-3519, 2024 Apr.
Artículo
en Inglés
| MEDLINE | ID: mdl-37855303
15.
Multitargeted Docking, DFT-Based Optimisation, Pharmacokinetics, and MD Simulation Reveal 6-Oxidopamine HBr as a Multitargeted Inhibitor of Cervical Cancer Proteins.
Curr Med Chem
; 2024 Jun 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-38874035
16.
Structure-Based In Silico Approaches Reveal IRESSA as a Multitargeted Breast Cancer Regulatory, Signalling, and Receptor Protein Inhibitor.
Pharmaceuticals (Basel)
; 17(2)2024 Feb 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-38399423
17.
Molecular Mimicry Mapping in Streptococcus pneumoniae: Cues for Autoimmune Disorders and Implications for Immune Defense Activation.
Pathogens
; 12(7)2023 Jun 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-37513704
18.
Unveiling the multitargeted repurposing potential of taxifolin (dihydroquercetin) in cervical cancer: an extensive MM\GBSA-based screening, and MD simulation study.
Med Oncol
; 40(8): 218, 2023 Jul 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-37394519
19.
Unveiling the multitargeted potential of N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine (NSL-CG) against SARS CoV-2: a virtual screening and molecular dynamics simulation study.
J Biomol Struct Dyn
; 41(14): 6633-6642, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-35971958
20.
Mining Autoimmune-Disorder-Linked Molecular-Mimicry Candidates in Clostridioides difficile and Prospects of Mimic-Based Vaccine Design: An In Silico Approach.
Microorganisms
; 11(9)2023 Sep 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37764144