390 related articles for article (PubMed ID: 33862474)
1. Novel inhibitors of the main protease enzyme of SARS-CoV-2 identified via molecular dynamics simulation-guided in vitro assay.
Loschwitz J; Jäckering A; Keutmann M; Olagunju M; Eberle RJ; Coronado MA; Olubiyi OO; Strodel B
Bioorg Chem; 2021 Jun; 111():104862. PubMed ID: 33862474
[TBL] [Abstract][Full Text] [Related]
2. Identification of non-covalent 3C-like protease inhibitors against severe acute respiratory syndrome coronavirus-2 via virtual screening of a Korean compound library.
Lee JY; Kuo CJ; Shin JS; Jung E; Liang PH; Jung YS
Bioorg Med Chem Lett; 2021 Jun; 42():128067. PubMed ID: 33957246
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. Development of a Cell-Based Luciferase Complementation Assay for Identification of SARS-CoV-2 3CL
Rawson JMO; Duchon A; Nikolaitchik OA; Pathak VK; Hu WS
Viruses; 2021 Jan; 13(2):. PubMed ID: 33498923
[TBL] [Abstract][Full Text] [Related]
5. Screening potential FDA-approved inhibitors of the SARS-CoV-2 major protease 3CL
Liu WS; Li HG; Ding CH; Zhang HX; Wang RR; Li JQ
Aging (Albany NY); 2021 Mar; 13(5):6258-6272. PubMed ID: 33678621
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. In Silico Identification and Validation of Organic Triazole Based Ligands as Potential Inhibitory Drug Compounds of SARS-CoV-2 Main Protease.
Sur VP; Sen MK; Komrskova K
Molecules; 2021 Oct; 26(20):. PubMed ID: 34684780
[TBL] [Abstract][Full Text] [Related]
8. In silico Study to Evaluate the Antiviral Activity of Novel Structures against 3C-like Protease of Novel Coronavirus (COVID-19) and SARS-CoV.
Chunduru K; Sankhe R; Begum F; Sodum N; Kumar N; Kishore A; Shenoy RR; Rao CM; Saravu K
Med Chem; 2021; 17(4):380-395. PubMed ID: 32720605
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach.
El Bakri Y; Anouar EH; Ahmad S; Nassar AA; Taha ML; Mague JT; El Ghayati L; Essassi EM
Appl Biochem Biotechnol; 2021 Nov; 193(11):3602-3623. PubMed ID: 34324152
[TBL] [Abstract][Full Text] [Related]
11. SARS-CoV-2 Main Protease Active Site Ligands in the Human Metabolome.
Sardanelli AM; Isgrò C; Palese LL
Molecules; 2021 Mar; 26(5):. PubMed ID: 33807773
[TBL] [Abstract][Full Text] [Related]
12. Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 M
Tejera E; Munteanu CR; López-Cortés A; Cabrera-Andrade A; Pérez-Castillo Y
Molecules; 2020 Nov; 25(21):. PubMed ID: 33172092
[TBL] [Abstract][Full Text] [Related]
13.
Iype E; Pillai U J; Kumar I; Gaastra-Nedea SV; Subramanian R; Saha RN; Dutta M
J Biomol Struct Dyn; 2022; 40(23):12800-12811. PubMed ID: 34550861
[TBL] [Abstract][Full Text] [Related]
14. Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach.
Gupta Y; Kumar S; Zak SE; Jones KA; Upadhyay C; Sharma N; Azizi SA; Kathayat RS; Poonam ; Herbert AS; Durvasula R; Dickinson BC; Dye JM; Rathi B; Kempaiah P
Bioorg Med Chem; 2021 Oct; 47():116393. PubMed ID: 34509862
[TBL] [Abstract][Full Text] [Related]
15. The Repurposed Drugs Suramin and Quinacrine Cooperatively Inhibit SARS-CoV-2 3CL
Eberle RJ; Olivier DS; Amaral MS; Gering I; Willbold D; Arni RK; Coronado MA
Viruses; 2021 May; 13(5):. PubMed ID: 34068686
[TBL] [Abstract][Full Text] [Related]
16. Identification of Darunavir Derivatives for Inhibition of SARS-CoV-2 3CL
Ma L; Xie Y; Zhu M; Yi D; Zhao J; Guo S; Zhang Y; Wang J; Li Q; Wang Y; Cen S
Int J Mol Sci; 2022 Dec; 23(24):. PubMed ID: 36555652
[TBL] [Abstract][Full Text] [Related]
17. Discovery of Covalent Lead Compounds Targeting 3CL Protease with a Lateral Interactions Spiking Neural Network.
Gu Z; Yan Y; Liu H; Wu D; Yao H; Lin K; Li X
J Chem Inf Model; 2024 Apr; 64(8):3047-3058. PubMed ID: 38520328
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. Structure-based virtual screening suggests inhibitors of 3-Chymotrypsin-Like Protease of SARS-CoV-2 from Vernonia amygdalina and Occinum gratissimum.
Gyebi GA; Elfiky AA; Ogunyemi OM; Ibrahim IM; Adegunloye AP; Adebayo JO; Olaiya CO; Ocheje JO; Fabusiwa MM
Comput Biol Med; 2021 Sep; 136():104671. PubMed ID: 34332348
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
