201 related articles for article (PubMed ID: 33046764)
1. Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation.
Komatsu TS; Okimoto N; Koyama YM; Hirano Y; Morimoto G; Ohno Y; Taiji M
Sci Rep; 2020 Oct; 10(1):16986. PubMed ID: 33046764
[TBL] [Abstract][Full Text] [Related]
2. Why Are Lopinavir and Ritonavir Effective against the Newly Emerged Coronavirus 2019? Atomistic Insights into the Inhibitory Mechanisms.
Nutho B; Mahalapbutr P; Hengphasatporn K; Pattaranggoon NC; Simanon N; Shigeta Y; Hannongbua S; Rungrotmongkol T
Biochemistry; 2020 May; 59(18):1769-1779. PubMed ID: 32293875
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. 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]
5. 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]
6. In Silico Insights into the SARS CoV-2 Main Protease Suggest NADH Endogenous Defences in the Control of the Pandemic Coronavirus Infection.
Martorana A; Gentile C; Lauria A
Viruses; 2020 Jul; 12(8):. PubMed ID: 32722574
[TBL] [Abstract][Full Text] [Related]
7. Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease.
Menéndez CA; Byléhn F; Perez-Lemus GR; Alvarado W; de Pablo JJ
Sci Adv; 2020 Sep; 6(37):. PubMed ID: 32917717
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Topological analysis of SARS CoV-2 main protease.
Estrada E
Chaos; 2020 Jun; 30(6):061102. PubMed ID: 32611087
[TBL] [Abstract][Full Text] [Related]
10. Atazanavir, Alone or in Combination with Ritonavir, Inhibits SARS-CoV-2 Replication and Proinflammatory Cytokine Production.
Fintelman-Rodrigues N; Sacramento CQ; Ribeiro Lima C; Souza da Silva F; Ferreira AC; Mattos M; de Freitas CS; Cardoso Soares V; da Silva Gomes Dias S; Temerozo JR; Miranda MD; Matos AR; Bozza FA; Carels N; Alves CR; Siqueira MM; Bozza PT; Souza TML
Antimicrob Agents Chemother; 2020 Sep; 64(10):. PubMed ID: 32759267
[TBL] [Abstract][Full Text] [Related]
11. Anti-HCV and anti-malaria agent, potential candidates to repurpose for coronavirus infection: Virtual screening, molecular docking, and molecular dynamics simulation study.
Hosseini FS; Amanlou M
Life Sci; 2020 Oct; 258():118205. PubMed ID: 32777300
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 M
Gurung AB; Ali MA; Lee J; Farah MA; Al-Anazi KM
Life Sci; 2020 Aug; 255():117831. PubMed ID: 32450166
[TBL] [Abstract][Full Text] [Related]
14. Targeting the Dimerization of the Main Protease of Coronaviruses: A Potential Broad-Spectrum Therapeutic Strategy.
Goyal B; Goyal D
ACS Comb Sci; 2020 Jun; 22(6):297-305. PubMed ID: 32402186
[TBL] [Abstract][Full Text] [Related]
15. 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]
16.
Huynh T; Wang H; Luan B
J Phys Chem Lett; 2020 Jun; 11(11):4413-4420. PubMed ID: 32406687
[TBL] [Abstract][Full Text] [Related]
17. A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease.
Hall DC; Ji HF
Travel Med Infect Dis; 2020; 35():101646. PubMed ID: 32294562
[TBL] [Abstract][Full Text] [Related]
18. Design and Evaluation of Anti-SARS-Coronavirus Agents Based on Molecular Interactions with the Viral Protease.
Akaji K; Konno H
Molecules; 2020 Aug; 25(17):. PubMed ID: 32867349
[TBL] [Abstract][Full Text] [Related]
19. Targeting the coronavirus SARS-CoV-2: computational insights into the mechanism of action of the protease inhibitors lopinavir, ritonavir and nelfinavir.
Bolcato G; Bissaro M; Pavan M; Sturlese M; Moro S
Sci Rep; 2020 Dec; 10(1):20927. PubMed ID: 33262359
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]