Detalles de la búsqueda
1.
Pyronaridine as a Bromodomain-Containing Protein 4-N-Terminal Bromodomain (BRD4-BD1) Inhibitor: In Silico Database Mining, Molecular Docking, and Molecular Dynamics Simulation.
Molecules;
28(15)2023 Jul 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-37570684
2.
Naturally occurring plant-based anticancerous candidates as prospective ABCG2 inhibitors: an in silico drug discovery study.
Mol Divers;
26(6): 3255-3277, 2022 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-35224675
3.
Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study.
Molecules;
27(10)2022 May 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-35630581
4.
Blue Biotechnology: Computational Screening of Sarcophyton Cembranoid Diterpenes for SARS-CoV-2 Main Protease Inhibition.
Mar Drugs;
19(7)2021 Jul 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-34356816
5.
In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (Mpro) Inhibitors.
Molecules;
26(7)2021 Apr 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33916461
6.
In silico drug repurposing and lipid bilayer molecular dynamics puzzled out potential breast cancer resistance protein (BCRP/ABCG2) inhibitors.
J Biomol Struct Dyn;
41(16): 7651-7664, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36120948
7.
In-Silico Mining of the Toxins Database (T3DB) towards Hunting Prospective Candidates as ABCB1 Inhibitors: Integrated Molecular Docking and Lipid Bilayer-Enhanced Molecular Dynamics Study.
Pharmaceuticals (Basel);
16(7)2023 Jul 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-37513931
8.
SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study.
PLoS One;
18(7): e0288919, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-37494356
9.
In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents.
Sci Rep;
13(1): 2146, 2023 02 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-36750593
10.
Chetomin, a SARS-CoV-2 3C-like Protease (3CLpro) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis.
Viruses;
15(1)2023 01 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36680290
11.
Potential drug candidates as P-glycoprotein inhibitors to reverse multidrug resistance in cancer: an in silico drug discovery study.
J Biomol Struct Dyn;
41(23): 13977-13992, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36883864
12.
In Silico Targeting Human Multidrug Transporter ABCG2 in Breast Cancer: Database Screening, Molecular Docking, and Molecular Dynamics Study.
Mol Inform;
41(2): e2060039, 2022 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34491628
13.
Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study.
Pharmaceuticals (Basel);
15(2)2022 Jan 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-35215266
14.
In-silico drug repurposing and molecular dynamics puzzled out potential SARS-CoV-2 main protease inhibitors.
J Biomol Struct Dyn;
39(15): 5756-5767, 2021 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32684114
15.
Natural-like products as potential SARS-CoV-2 Mpro inhibitors: in-silico drug discovery.
J Biomol Struct Dyn;
39(15): 5722-5734, 2021 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32643529
16.
Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease.
J Biomol Struct Dyn;
39(14): 5129-5136, 2021 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-32597315
17.
In Silico Evaluation of Prospective Anti-COVID-19 Drug Candidates as Potential SARS-CoV-2 Main Protease Inhibitors.
Protein J;
40(3): 296-309, 2021 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33387249
18.
Prospective Drug Candidates as Human Multidrug Transporter ABCG2 Inhibitors: an In Silico Drug Discovery Study.
Cell Biochem Biophys;
79(2): 189-200, 2021 Jun.
Artículo
en Inglés
| MEDLINE | ID: mdl-33954893
19.
Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study.
J Mol Graph Model;
105: 107904, 2021 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-33798836
20.
Non-ß-Lactam Allosteric Inhibitors Target Methicillin-Resistant Staphylococcus aureus: An In Silico Drug Discovery Study.
Antibiotics (Basel);
10(8)2021 Aug 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-34438984