151 related articles for article (PubMed ID: 34938188)
1. Pre-Steady-State Kinetics of the SARS-CoV-2 Main Protease as a Powerful Tool for Antiviral Drug Discovery.
Zakharova MY; Kuznetsova AA; Uvarova VI; Fomina AD; Kozlovskaya LI; Kaliberda EN; Kurbatskaia IN; Smirnov IV; Bulygin AA; Knorre VD; Fedorova OS; Varnek A; Osolodkin DI; Ishmukhametov AA; Egorov AM; Gabibov AG; Kuznetsov NA
Front Pharmacol; 2021; 12():773198. PubMed ID: 34938188
[TBL] [Abstract][Full Text] [Related]
2. Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease.
Andrianov AM; Kornoushenko YV; Karpenko AD; Bosko IP; Tuzikov AV
J Biomol Struct Dyn; 2021 Sep; 39(15):5779-5791. PubMed ID: 32662333
[TBL] [Abstract][Full Text] [Related]
3. Covalent and non-covalent binding free energy calculations for peptidomimetic inhibitors of SARS-CoV-2 main protease.
Awoonor-Williams E; Abu-Saleh AAA
Phys Chem Chem Phys; 2021 Mar; 23(11):6746-6757. PubMed ID: 33711090
[TBL] [Abstract][Full Text] [Related]
4. Theoretical insights into the binding interaction of Nirmatrelvir with SARS-CoV-2 Mpro mutants (C145A and C145S): MD simulations and binding free-energy calculation to understand drug resistance.
Purohit P; Panda M; Muya JT; Bandyopadhyay P; Meher BR
J Biomol Struct Dyn; 2023 Aug; ():1-20. PubMed ID: 37599474
[TBL] [Abstract][Full Text] [Related]
5. Crystal structures of main protease (M
Jiang H; Zou X; Zeng P; Zeng X; Zhou X; Wang J; Zhang J; Li J
Mol Biomed; 2023 Aug; 4(1):23. PubMed ID: 37532968
[TBL] [Abstract][Full Text] [Related]
6. 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. Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Ma C; Sacco MD; Hurst B; Townsend JA; Hu Y; Szeto T; Zhang X; Tarbet B; Marty MT; Chen Y; Wang J
bioRxiv; 2020 Jan; ():. PubMed ID: 32511378
[TBL] [Abstract][Full Text] [Related]
8. Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Xia Z; Sacco M; Hu Y; Ma C; Meng X; Zhang F; Szeto T; Xiang Y; Chen Y; Wang J
ACS Pharmacol Transl Sci; 2021 Aug; 4(4):1408-1421. PubMed ID: 34414360
[TBL] [Abstract][Full Text] [Related]
9. Structural Basis for the Inhibition of SARS-CoV-2 M
Zhao Z; Zhu Q; Zhou X; Li W; Yin X; Li J
Viruses; 2023 Dec; 16(1):. PubMed ID: 38257765
[TBL] [Abstract][Full Text] [Related]
10. Insights into the binding and covalent inhibition mechanism of PF-07321332 to SARS-CoV-2 M
Ngo ST; Nguyen TH; Tung NT; Mai BK
RSC Adv; 2022 Jan; 12(6):3729-3737. PubMed ID: 35425393
[TBL] [Abstract][Full Text] [Related]
11. Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: An in-silico perspective of therapeutic targets against COVID-19 pandemic.
Fakhar Z; Faramarzi B; Pacifico S; Faramarzi S
J Biomol Struct Dyn; 2021 Oct; 39(16):6171-6183. PubMed ID: 32741312
[TBL] [Abstract][Full Text] [Related]
12. Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs.
Li Z; Li X; Huang YY; Wu Y; Liu R; Zhou L; Lin Y; Wu D; Zhang L; Liu H; Xu X; Yu K; Zhang Y; Cui J; Zhan CG; Wang X; Luo HB
Proc Natl Acad Sci U S A; 2020 Nov; 117(44):27381-27387. PubMed ID: 33051297
[TBL] [Abstract][Full Text] [Related]
13. 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]
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. 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]
16. Evidence for substrate binding-induced zwitterion formation in the catalytic Cys-His dyad of the SARS-CoV main protease.
Paasche A; Zipper A; Schäfer S; Ziebuhr J; Schirmeister T; Engels B
Biochemistry; 2014 Sep; 53(37):5930-46. PubMed ID: 25196915
[TBL] [Abstract][Full Text] [Related]
17. Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 α-ketoamide derivative and Pentagastrin: An in-silico drug discovery approach.
Achilonu I; Iwuchukwu EA; Achilonu OJ; Fernandes MA; Sayed Y
J Mol Graph Model; 2020 Dec; 101():107730. PubMed ID: 32920239
[TBL] [Abstract][Full Text] [Related]
18. Inhibition mechanism and hot-spot prediction of nine potential drugs for SARS-CoV-2 M
Luo S; Huang K; Zhao X; Cong Y; Zhang JZH; Duan L
Nanoscale; 2021 May; 13(17):8313-8332. PubMed ID: 33900318
[TBL] [Abstract][Full Text] [Related]
19. The
Alugubelli YR; Geng ZZ; Yang KS; Shaabani N; Khatua K; Ma XR; Vatansever EC; Cho CC; Ma Y; Blankenship L; Yu G; Sankaran B; Li P; Allen R; Ji H; Xu S; Liu WR
bioRxiv; 2021 Dec; ():. PubMed ID: 34981058
[TBL] [Abstract][Full Text] [Related]
20. In Silico Prediction of Novel Inhibitors of SARS-CoV-2 Main Protease through Structure-Based Virtual Screening and Molecular Dynamic Simulation.
Halim SA; Waqas M; Khan A; Al-Harrasi A
Pharmaceuticals (Basel); 2021 Sep; 14(9):. PubMed ID: 34577596
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
