95 related articles for article (PubMed ID: 32698693)
1. Dual inhibitors of SARS-CoV-2 proteases: pharmacophore and molecular dynamics based drug repositioning and phytochemical leads.
Mitra K; Ghanta P; Acharya S; Chakrapani G; Ramaiah B; Doble M
J Biomol Struct Dyn; 2021 Oct; 39(16):6324-6337. PubMed ID: 32698693
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. Uncovering Flexible Active Site Conformations of SARS-CoV-2 3CL Proteases through Protease Pharmacophore Clusters and COVID-19 Drug Repurposing.
Pathak N; Chen YT; Hsu YC; Hsu NY; Kuo CJ; Tsai HP; Kang JJ; Huang CH; Chang SY; Chang YH; Liang PH; Yang JM
ACS Nano; 2021 Jan; 15(1):857-872. PubMed ID: 33373194
[TBL] [Abstract][Full Text] [Related]
4. Multidimensional virtual screening approaches combined with drug repurposing to identify potential covalent inhibitors of SARS-CoV-2 3CL protease.
Wang Y; Gao Q; Yao P; Yao Q; Zhang J
J Biomol Struct Dyn; 2023; 41(24):15262-15285. PubMed ID: 36961210
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. 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]
7. Discovery of potential SARS-CoV 3CL protease inhibitors from approved antiviral drugs using: virtual screening, molecular docking, pharmacophore mapping evaluation and dynamics simulation.
Daoud I; Mesli F; Melkemi N; Ghalem S; Salah T
J Biomol Struct Dyn; 2022; 40(23):12574-12591. PubMed ID: 34541995
[TBL] [Abstract][Full Text] [Related]
8. Aminoglycosides as potential inhibitors of SARS-CoV-2 main protease: an in silico drug repurposing study on FDA-approved antiviral and anti-infection agents.
Ahmed MZ; Zia Q; Haque A; Alqahtani AS; Almarfadi OM; Banawas S; Alqahtani MS; Ameta KL; Haque S
J Infect Public Health; 2021 May; 14(5):611-619. PubMed ID: 33866129
[TBL] [Abstract][Full Text] [Related]
9. In Silico Identification of Potential Natural Product Inhibitors of Human Proteases Key to SARS-CoV-2 Infection.
Vivek-Ananth RP; Rana A; Rajan N; Biswal HS; Samal A
Molecules; 2020 Aug; 25(17):. PubMed ID: 32842606
[TBL] [Abstract][Full Text] [Related]
10. Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target.
Arun KG; Sharanya CS; Abhithaj J; Francis D; Sadasivan C
J Biomol Struct Dyn; 2021 Aug; 39(13):4647-4658. PubMed ID: 32571168
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Screening of potent phytochemical inhibitors against SARS-CoV-2 protease and its two Asian mutants.
Muhammad I; Rahman N; Gul-E-Nayab ; Niaz S; Basharat Z; Rastrelli L; Jayanthi S; Efferth T; Khan H
Comput Biol Med; 2021 Jun; 133():104362. PubMed ID: 33894500
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. 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]
15. 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]
16. Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations.
Sk MF; Roy R; Jonniya NA; Poddar S; Kar P
J Biomol Struct Dyn; 2021 Jul; 39(10):3649-3661. PubMed ID: 32396767
[TBL] [Abstract][Full Text] [Related]
17. Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design.
Meyer-Almes FJ
Comput Biol Chem; 2020 Oct; 88():107351. PubMed ID: 32769050
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. 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]
20. Discovery of potent Covid-19 main protease inhibitors using integrated drug-repurposing strategy.
T MK; K R; James N; V S; K R
Biotechnol Appl Biochem; 2021 Aug; 68(4):712-725. PubMed ID: 33797130
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]