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1.
In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation and ADMET profiling.
J Mol Struct
; 1258: 132652, 2022 Jun 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-35194243
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.
Identification of natural diterpenes isolated from Azorella species targeting dispersin B using in silico approaches.
J Mol Model
; 29(6): 182, 2023 May 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-37209272
4.
Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations.
J King Saud Univ Sci
; 34(7): 102226, 2022 Oct.
Artículo
en Inglés
| MEDLINE | ID: mdl-35875823
5.
QSAR, ADMET In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Studies of Novel Bicyclo (Aryl Methyl) Benzamides as Potent GlyT1 Inhibitors for the Treatment of Schizophrenia.
Pharmaceuticals (Basel)
; 15(6)2022 May 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-35745588
6.
New dehydroabietic acid (DHA) derivatives with anticancer activity against HepG2 cancer cell lines as a potential drug targeting EGFR kinase domain. CoMFA study and virtual ligand-based screening.
J Biomol Struct Dyn
; 39(8): 2993-3003, 2021 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-32319344
7.
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
8.
Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach.
Comput Biol Med
; 136: 104758, 2021 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-34411900
9.
Molecular docking analysis of N-substituted Oseltamivir derivatives with the SARS-CoV-2 main protease.
Bioinformation
; 16(5): 404-410, 2020.
Artículo
en Inglés
| MEDLINE | ID: mdl-32831522
10.
Assessment of effective imidazole derivatives against SARS-CoV-2 main protease through computational approach.
Life Sci
; 262: 118469, 2020 Dec 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-32956664
11.
Study of novel triazolo-benzodiazepine analogues as antidepressants targeting by molecular docking and ADMET properties prediction.
Heliyon
; 5(9): e02446, 2019 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-31528753
12.
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
13.
A computational predicting of possible inhibitors of the main SARS-CoV-2 protease found in Algerian herbal medicines
Rev. colomb. quím. (Bogotá)
; 51(3)dic. 2022.
Artículo
en Inglés
|
LILACS-Express
| ID: biblio-1536164
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