1557 related articles for article (PubMed ID: 32706783)
1. 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]
2. 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]
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. 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]
5. 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]
6. 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]
7. 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]
8. 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]
9. 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]
10. 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]
11. Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design.
Meyer-Almes FJ
Comput Biol Chem; 2020 Oct; 88():107351. PubMed ID: 32769050
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. 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]
14. Development of a Fluorescence-Based, High-Throughput SARS-CoV-2 3CL
Froggatt HM; Heaton BE; Heaton NS
J Virol; 2020 Oct; 94(22):. PubMed ID: 32843534
[TBL] [Abstract][Full Text] [Related]
15. Virtual screening, ADME/T, and binding free energy analysis of anti-viral, anti-protease, and anti-infectious compounds against NSP10/NSP16 methyltransferase and main protease of SARS CoV-2.
Maurya SK; Maurya AK; Mishra N; Siddique HR
J Recept Signal Transduct Res; 2020 Dec; 40(6):605-612. PubMed ID: 32476594
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors.
Uniyal A; Mahapatra MK; Tiwari V; Sandhir R; Kumar R
J Biomol Struct Dyn; 2022 May; 40(8):3609-3625. PubMed ID: 33226303
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. COVID-19: Rational discovery of the therapeutic potential of Melatonin as a SARS-CoV-2 main Protease Inhibitor.
Feitosa EL; Júnior FTDSS; Nery Neto JAO; Matos LFL; Moura MHS; Rosales TO; De Freitas GBL
Int J Med Sci; 2020; 17(14):2133-2146. PubMed ID: 32922174
[TBL] [Abstract][Full Text] [Related]
20. High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2.
Olubiyi OO; Olagunju M; Keutmann M; Loschwitz J; Strodel B
Molecules; 2020 Jul; 25(14):. PubMed ID: 32668701
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]