790 related articles for article (PubMed ID: 33025993)
1. Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations.
Abu-Saleh AAA; Awad IE; Yadav A; Poirier RA
Phys Chem Chem Phys; 2020 Oct; 22(40):23099-23106. PubMed ID: 33025993
[TBL] [Abstract][Full Text] [Related]
2. Structure-based lead optimization of herbal medicine rutin for inhibiting SARS-CoV-2's main protease.
Huynh T; Wang H; Luan B
Phys Chem Chem Phys; 2020 Nov; 22(43):25335-25343. PubMed ID: 33140777
[TBL] [Abstract][Full Text] [Related]
3. Optimization Rules for SARS-CoV-2 M
Stoddard SV; Stoddard SD; Oelkers BK; Fitts K; Whalum K; Whalum K; Hemphill AD; Manikonda J; Martinez LM; Riley EG; Roof CM; Sarwar N; Thomas DM; Ulmer E; Wallace FE; Pandey P; Roy S
Viruses; 2020 Aug; 12(9):. PubMed ID: 32859008
[TBL] [Abstract][Full Text] [Related]
4. Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors.
Jiménez-Alberto A; Ribas-Aparicio RM; Aparicio-Ozores G; Castelán-Vega JA
Comput Biol Chem; 2020 Oct; 88():107325. PubMed ID: 32623357
[TBL] [Abstract][Full Text] [Related]
5. In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing.
Kumar Y; Singh H; Patel CN
J Infect Public Health; 2020 Sep; 13(9):1210-1223. PubMed ID: 32561274
[TBL] [Abstract][Full Text] [Related]
6. In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus.
Eleftheriou P; Amanatidou D; Petrou A; Geronikaki A
Molecules; 2020 May; 25(11):. PubMed ID: 32485894
[TBL] [Abstract][Full Text] [Related]
7. Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study.
Wang J
J Chem Inf Model; 2020 Jun; 60(6):3277-3286. PubMed ID: 32315171
[TBL] [Abstract][Full Text] [Related]
8. In silico identification of potential inhibitors of key SARS-CoV-2 3CL hydrolase (Mpro) via molecular docking, MMGBSA predictive binding energy calculations, and molecular dynamics simulation.
Choudhary MI; Shaikh M; Tul-Wahab A; Ur-Rahman A
PLoS One; 2020; 15(7):e0235030. PubMed ID: 32706783
[TBL] [Abstract][Full Text] [Related]
9. Biochemical screening for SARS-CoV-2 main protease inhibitors.
Coelho C; Gallo G; Campos CB; Hardy L; Würtele M
PLoS One; 2020; 15(10):e0240079. PubMed ID: 33022015
[TBL] [Abstract][Full Text] [Related]
10. In silico drug discovery of major metabolites from spices as SARS-CoV-2 main protease inhibitors.
Ibrahim MAA; Abdelrahman AHM; Hussien TA; Badr EAA; Mohamed TA; El-Seedi HR; Pare PW; Efferth T; Hegazy MF
Comput Biol Med; 2020 Nov; 126():104046. PubMed ID: 33065388
[TBL] [Abstract][Full Text] [Related]
11. Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel
Sencanski M; Perovic V; Pajovic SB; Adzic M; Paessler S; Glisic S
Molecules; 2020 Aug; 25(17):. PubMed ID: 32842509
[TBL] [Abstract][Full Text] [Related]
12.
Huynh T; Wang H; Luan B
J Phys Chem Lett; 2020 Jun; 11(11):4413-4420. PubMed ID: 32406687
[TBL] [Abstract][Full Text] [Related]
13. Identification of saquinavir as a potent inhibitor of dimeric SARS-CoV2 main protease through MM/GBSA.
Bello M; Martínez-Muñoz A; Balbuena-Rebolledo I
J Mol Model; 2020 Nov; 26(12):340. PubMed ID: 33184722
[TBL] [Abstract][Full Text] [Related]
14. Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds.
Ton AT; Gentile F; Hsing M; Ban F; Cherkasov A
Mol Inform; 2020 Aug; 39(8):e2000028. PubMed ID: 32162456
[TBL] [Abstract][Full Text] [Related]
15. Virtual Double-System Single-Box: A Nonequilibrium Alchemical Technique for Absolute Binding Free Energy Calculations: Application to Ligands of the SARS-CoV-2 Main Protease.
Macchiagodena M; Pagliai M; Karrenbrock M; Guarnieri G; Iannone F; Procacci P
J Chem Theory Comput; 2020 Nov; 16(11):7160-7172. PubMed ID: 33090785
[TBL] [Abstract][Full Text] [Related]
16. Identification of high-affinity inhibitors of SARS-CoV-2 main protease: Towards the development of effective COVID-19 therapy.
Mohammad T; Shamsi A; Anwar S; Umair M; Hussain A; Rehman MT; AlAjmi MF; Islam A; Hassan MI
Virus Res; 2020 Oct; 288():198102. PubMed ID: 32717346
[TBL] [Abstract][Full Text] [Related]
17. Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation.
Keretsu S; Bhujbal SP; Cho SJ
Sci Rep; 2020 Oct; 10(1):17716. PubMed ID: 33077821
[TBL] [Abstract][Full Text] [Related]
18. Molecular Binding Mechanism and Pharmacology Comparative Analysis of Noscapine for Repurposing against SARS-CoV-2 Protease.
Kumar N; Sood D; van der Spek PJ; Sharma HS; Chandra R
J Proteome Res; 2020 Nov; 19(11):4678-4689. PubMed ID: 32786685
[TBL] [Abstract][Full Text] [Related]
19. Clean Grinding Technique: A Facile Synthesis and In Silico Antiviral Activity of Hydrazones, Pyrazoles, and Pyrazines Bearing Thiazole Moiety against SARS-CoV-2 Main Protease (M
Abu-Melha S; Edrees MM; Riyadh SM; Abdelaziz MR; Elfiky AA; Gomha SM
Molecules; 2020 Oct; 25(19):. PubMed ID: 33036293
[TBL] [Abstract][Full Text] [Related]
20. Interactions Between Remdesivir, Ribavirin, Favipiravir, Galidesivir, Hydroxychloroquine and Chloroquine with Fragment Molecular of the COVID-19 Main Protease with Inhibitor N3 Complex (PDB ID:6LU7) Using Molecular Docking.
Silva Arouche TD; Reis AF; Martins AY; S Costa JF; Carvalho Junior RN; J C Neto AM
J Nanosci Nanotechnol; 2020 Dec; 20(12):7311-7323. PubMed ID: 32711596
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
