Detalles de la búsqueda
1.
Computational 3D Modeling-Based Identification of Inhibitors Targeting Cysteine Covalent Bond Catalysts for JAK3 and CYP3A4 Enzymes in the Treatment of Rheumatoid Arthritis.
Molecules
; 29(1)2023 Dec 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-38202604
2.
QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods.
Chemometr Intell Lab Syst
; 210: 104266, 2021 Mar 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-33558778
3.
Revealing innovative JAK1 and JAK3 inhibitors: a comprehensive study utilizing QSAR, 3D-Pharmacophore screening, molecular docking, molecular dynamics, and MM/GBSA analyses.
Front Mol Biosci
; 11: 1348277, 2024.
Artículo
en Inglés
| MEDLINE | ID: mdl-38516192
4.
In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening.
J Biomol Struct Dyn
; 40(1): 143-153, 2022 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-32799761
5.
Discovery of Potent SARS-CoV-2 Inhibitors from Approved Antiviral Drugs via Docking and Virtual Screening.
Comb Chem High Throughput Screen
; 24(3): 441-454, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-32748740
6.
Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation.
J Biomol Struct Dyn
; 39(12): 4522-4535, 2021 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-32552534
7.
Discovering Anti-Cancer Drugs via Computational Methods.
Front Pharmacol
; 11: 733, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-32508653
8.
In Silico Exploration of Aryl Halides Analogues as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and ADMET Screening.
Adv Pharm Bull
; 9(1): 84-92, 2019 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-31011562
9.
QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors.
Heliyon
; 5(3): e01304, 2019 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-30899832
10.
Computer aided drug design based on 3D-QSAR and molecular docking studies of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amine derivatives as PIM2 inhibitors: a proposal to chemists.
In Silico Pharmacol
; 6(1): 5, 2018.
Artículo
en Inglés
| MEDLINE | ID: mdl-30607318
11.
QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors.
Chem Cent J
; 12(1): 32, 2018 Mar 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-29564572
12.
3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase.
Comput Biol Chem
; 74: 201-211, 2018 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-29635214
13.
QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity.
Chem Cent J
; 11(1): 41, 2017 May 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-29086822
Resultados
1 -
13
de 13
1
Próxima >
>>