Detalles de la búsqueda
1.
Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PASS Predictions, and DFT Investigations.
Molecules
; 29(4)2024 Feb 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-38398573
2.
Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations.
Pharmaceuticals (Basel)
; 17(2)2024 Feb 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-38399476
3.
Insights into the inhibitory potential of novel hydrazinyl thiazole-linked indenoquinoxaline against alpha-amylase: a comprehensive QSAR, pharmacokinetic, and molecular modeling study.
J Biomol Struct Dyn
; : 1-18, 2024 Feb 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-38305802
4.
Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents.
Comput Biol Chem
; 108: 107993, 2024 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-38071761
5.
Genotoxic effects and mitosis aberrations of chromium (VI) on root cells of Vicia faba and its molecular docking analysis.
Plant Physiol Biochem
; 207: 108361, 2024 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-38237423
6.
The anti-SARS-CoV-2 activity of novel 9, 10-dihydrophenanthrene derivatives: an insight into molecular docking, ADMET analysis, and molecular dynamics simulation.
Sci Afr
; 21: e01754, 2023 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-37332393
7.
Structure-based virtual screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates for the SARS-CoV-2 inhibitors.
Nat Prod Res
; : 1-8, 2023 Nov 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37966948
8.
Chromone-isoxazole hybrids molecules: synthesis, spectroscopic, MEDT, ELF, antibacterial, ADME-Tox, molecular docking and MD simulation investigations.
J Biomol Struct Dyn
; : 1-15, 2023 Oct 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-37817499
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