These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
3. N-Terminal Finger Stabilizes the S1 Pocket for the Reversible Feline Drug GC376 in the SARS-CoV-2 M Arutyunova E; Khan MB; Fischer C; Lu J; Lamer T; Vuong W; van Belkum MJ; McKay RT; Tyrrell DL; Vederas JC; Young HS; Lemieux MJ J Mol Biol; 2021 Jun; 433(13):167003. PubMed ID: 33895266 [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. 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]
7. 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]
8. 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]
9. 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]
10. An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Sun Z; Wang L; Li X; Fan C; Xu J; Shi Z; Qiao H; Lan Z; Zhang X; Li L; Zhou X; Geng Y Proc Natl Acad Sci U S A; 2022 Apr; 119(15):e2120913119. PubMed ID: 35324337 [TBL] [Abstract][Full Text] [Related]
11. 2-Pyridone natural products as inhibitors of SARS-CoV-2 main protease. Forrestall KL; Burley DE; Cash MK; Pottie IR; Darvesh S Chem Biol Interact; 2021 Feb; 335():109348. PubMed ID: 33278462 [TBL] [Abstract][Full Text] [Related]
12. Systematic Search for SARS-CoV-2 Main Protease Inhibitors for Drug Repurposing: Ethacrynic Acid as a Potential Drug. Isgrò C; Sardanelli AM; Palese LL Viruses; 2021 Jan; 13(1):. PubMed ID: 33451132 [TBL] [Abstract][Full Text] [Related]
14. 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]
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. Insights into the Main Protease of SARS-CoV-2: Thermodynamic Analysis, Structural Characterization, and the Impact of Inhibitors. Butalewicz JP; Sipe SN; Juetten KJ; James VK; Kim K; Zhang YJ; Meek TD; Brodbelt JS Anal Chem; 2024 Oct; 96(40):15898-15906. PubMed ID: 39319663 [TBL] [Abstract][Full Text] [Related]
17. Structural and energetic features of the dimerization of the main proteinase of SARS-CoV-2 using molecular dynamic simulations. Zhang Y; Zheng L; Yang Y; Qu Y; Li YQ; Zhao M; Mu Y; Li W Phys Chem Chem Phys; 2022 Feb; 24(7):4324-4333. PubMed ID: 35107451 [TBL] [Abstract][Full Text] [Related]
18. Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS. Tomar S; Johnston ML; St John SE; Osswald HL; Nyalapatla PR; Paul LN; Ghosh AK; Denison MR; Mesecar AD J Biol Chem; 2015 Aug; 290(32):19403-22. PubMed ID: 26055715 [TBL] [Abstract][Full Text] [Related]