396 related articles for article (PubMed ID: 32911432)
1. Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface.
Liang J; Karagiannis C; Pitsillou E; Darmawan KK; Ng K; Hung A; Karagiannis TC
Comput Biol Chem; 2020 Dec; 89():107372. PubMed ID: 32911432
[TBL] [Abstract][Full Text] [Related]
2. Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked immunosorbent assay.
Pitsillou E; Liang J; Karagiannis C; Ververis K; Darmawan KK; Ng K; Hung A; Karagiannis TC
Comput Biol Chem; 2020 Dec; 89():107408. PubMed ID: 33137690
[TBL] [Abstract][Full Text] [Related]
3. Exploring the Binding Mechanism of PF-07321332 SARS-CoV-2 Protease Inhibitor through Molecular Dynamics and Binding Free Energy Simulations.
Ahmad B; Batool M; Ain QU; Kim MS; Choi S
Int J Mol Sci; 2021 Aug; 22(17):. PubMed ID: 34502033
[TBL] [Abstract][Full Text] [Related]
4. Interaction of small molecules with the SARS-CoV-2 papain-like protease: In silico studies and in vitro validation of protease activity inhibition using an enzymatic inhibition assay.
Pitsillou E; Liang J; Ververis K; Hung A; Karagiannis TC
J Mol Graph Model; 2021 May; 104():107851. PubMed ID: 33556646
[TBL] [Abstract][Full Text] [Related]
5. Comparative Antiviral Efficacy of Viral Protease Inhibitors against the Novel SARS-CoV-2 In Vitro.
Zhang L; Liu J; Cao R; Xu M; Wu Y; Shang W; Wang X; Zhang H; Jiang X; Sun Y; Hu H; Li Y; Zou G; Zhang M; Zhao L; Li W; Guo X; Zhuang X; Yang XL; Shi ZL; Deng F; Hu Z; Xiao G; Wang M; Zhong W
Virol Sin; 2020 Dec; 35(6):776-784. PubMed ID: 32910347
[TBL] [Abstract][Full Text] [Related]
6. Allosteric Inhibition of the SARS-CoV-2 Main Protease: Insights from Mass Spectrometry Based Assays*.
El-Baba TJ; Lutomski CA; Kantsadi AL; Malla TR; John T; Mikhailov V; Bolla JR; Schofield CJ; Zitzmann N; Vakonakis I; Robinson CV
Angew Chem Int Ed Engl; 2020 Dec; 59(52):23544-23548. PubMed ID: 32841477
[TBL] [Abstract][Full Text] [Related]
7. Identifying SARS-CoV-2 antiviral compounds by screening for small molecule inhibitors of Nsp5 main protease.
Milligan JC; Zeisner TU; Papageorgiou G; Joshi D; Soudy C; Ulferts R; Wu M; Lim CT; Tan KW; Weissmann F; Canal B; Fujisawa R; Deegan T; Nagaraj H; Bineva-Todd G; Basier C; Curran JF; Howell M; Beale R; Labib K; O'Reilly N; Diffley JFX
Biochem J; 2021 Jul; 478(13):2499-2515. PubMed ID: 34198327
[TBL] [Abstract][Full Text] [Related]
8. Inhibition mechanism of SARS-CoV-2 main protease by ebselen and its derivatives.
Amporndanai K; Meng X; Shang W; Jin Z; Rogers M; Zhao Y; Rao Z; Liu ZJ; Yang H; Zhang L; O'Neill PM; Samar Hasnain S
Nat Commun; 2021 May; 12(1):3061. PubMed ID: 34031399
[TBL] [Abstract][Full Text] [Related]
9. Molecular Docking of Azithromycin, Ritonavir, Lopinavir, Oseltamivir, Ivermectin and Heparin Interacting with Coronavirus Disease 2019 Main and Severe Acute Respiratory Syndrome Coronavirus-2 3C-Like Proteases.
Arouche TDS; Martins AY; Ramalho TC; Júnior RNC; Costa FLP; Filho TSA; Neto AMJC
J Nanosci Nanotechnol; 2021 Apr; 21(4):2075-2089. PubMed ID: 33500022
[TBL] [Abstract][Full Text] [Related]
10. SARS-CoV-2 M
Citarella A; Scala A; Piperno A; Micale N
Biomolecules; 2021 Apr; 11(4):. PubMed ID: 33921886
[TBL] [Abstract][Full Text] [Related]
11. Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease.
Mirza MU; Ahmad S; Abdullah I; Froeyen M
Comput Biol Chem; 2020 Dec; 89():107376. PubMed ID: 32979815
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. The Mpro structure-based modifications of ebselen derivatives for improved antiviral activity against SARS-CoV-2 virus.
Qiao Z; Wei N; Jin L; Zhang H; Luo J; Zhang Y; Wang K
Bioorg Chem; 2021 Dec; 117():105455. PubMed ID: 34740055
[TBL] [Abstract][Full Text] [Related]
14. Regulation of the Dimerization and Activity of SARS-CoV-2 Main Protease through Reversible Glutathionylation of Cysteine 300.
Davis DA; Bulut H; Shrestha P; Yaparla A; Jaeger HK; Hattori SI; Wingfield PT; Mieyal JJ; Mitsuya H; Yarchoan R
mBio; 2021 Aug; 12(4):e0209421. PubMed ID: 34399606
[TBL] [Abstract][Full Text] [Related]
15. Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19.
Rai H; Barik A; Singh YP; Suresh A; Singh L; Singh G; Nayak UY; Dubey VK; Modi G
Mol Divers; 2021 Aug; 25(3):1905-1927. PubMed ID: 33582935
[TBL] [Abstract][Full Text] [Related]
16. Discovery of Potent SARS-CoV-2 Inhibitors from Approved Antiviral Drugs via Docking and Virtual Screening.
Chtita S; Belhassan A; Aouidate A; Belaidi S; Bouachrine M; Lakhlifi T
Comb Chem High Throughput Screen; 2021; 24(3):441-454. PubMed ID: 32748740
[TBL] [Abstract][Full Text] [Related]
17. Understanding the binding mechanism for potential inhibition of SARS-CoV-2 Mpro and exploring the modes of ACE2 inhibition by hydroxychloroquine.
Choudhury M; Dhanabalan AK; Goswami N
J Cell Biochem; 2022 Feb; 123(2):347-358. PubMed ID: 34741481
[TBL] [Abstract][Full Text] [Related]
18. The main protease and RNA-dependent RNA polymerase are two prime targets for SARS-CoV-2.
Jin Z; Wang H; Duan Y; Yang H
Biochem Biophys Res Commun; 2021 Jan; 538():63-71. PubMed ID: 33288200
[TBL] [Abstract][Full Text] [Related]
19. The Se-S Bond Formation in the Covalent Inhibition Mechanism of SARS-CoV-2 Main Protease by Ebselen-like Inhibitors: A Computational Study.
Parise A; Romeo I; Russo N; Marino T
Int J Mol Sci; 2021 Sep; 22(18):. PubMed ID: 34575955
[TBL] [Abstract][Full Text] [Related]
20. Blue Biotechnology: Computational Screening of
Ibrahim MAA; Abdelrahman AHM; Atia MAM; Mohamed TA; Moustafa MF; Hakami AR; Khalifa SAM; Alhumaydhi FA; Alrumaihi F; Abidi SH; Allemailem KS; Efferth T; Soliman ME; Paré PW; El-Seedi HR; Hegazy MF
Mar Drugs; 2021 Jul; 19(7):. PubMed ID: 34356816
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
