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1.
A Structure-Based Design Strategy with Pyrazole-Pyridine Derivatives Targeting TNFα as Anti-inflammatory Agents: E-pharmacophore, Dynamic Simulation, Synthesis and In Vitro Evaluation.
Chem Biodivers
; : e202400778, 2024 Jun 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-38861376
2.
Identification of natural product as selective PI3Kα inhibitor against NSCLC: multi-ligand pharmacophore modeling, molecular docking, ADME, DFT, and MD simulations.
Mol Divers
; 2023 Sep 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37715109
3.
Computational-guided approach for identification of PI3K alpha inhibitor in the treatment of hepatocellular carcinoma by virtual screening and water map analysis.
J Biomol Struct Dyn
; : 1-23, 2024 Jan 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-38197431
4.
Exploring the impact of trifluoromethyl (-CF3) functional group on the anti-cancer activity of isoxazole-based molecules: design, synthesis, biological evaluation and molecular docking analysis.
RSC Adv
; 14(27): 18856-18870, 2024 Jun 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-38873543
5.
An insight into structure-activity relationship of naturally derived biological macromolecules for the treatment of Alzheimer's disease: a review.
J Biomol Struct Dyn
; : 1-17, 2023 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-37378526
6.
Molecular docking and dynamics approach to in silico drug repurposing for inflammatory bowels disease by targeting TNF alpha.
J Biomol Struct Dyn
; 41(8): 3462-3475, 2023 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-35285757
7.
Role of multi-targeted bioactive natural molecules and their derivatives in the treatment of Alzheimer's disease: an insight into structure-activity relationship.
J Biomol Struct Dyn
; 41(20): 11286-11323, 2023 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-36579430
8.
Mechanistic and Etiological Similarities in Diabetes Mellitus and Alzheimer's Disease: Antidiabetic Drugs as Optimistic Therapeutics in Alzheimer's Disease.
CNS Neurol Disord Drug Targets
; 22(7): 973-993, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-35770411
9.
Molecular docking and dynamics based approach for the identification of kinase inhibitors targeting PI3Kα against non-small cell lung cancer: a computational study.
RSC Adv
; 12(33): 21452-21467, 2022 Jul 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-35975074
10.
Structure-Activity Relationship Insight of Naturally Occurring Bioactive Molecules and Their Derivatives Against Non-Small Cell Lung Cancer: A Comprehensive Review.
Curr Med Chem
; 29(39): 6030-6062, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-35579166
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