… SARS-CoV-2, was first identified in 2019 in Wuhan, China. The novel coronavirusSARS-CoV-2 and the 2002 SARS-CoV … the SARS-CoV (6CRV: full length S protein) and SARS-CoV-2 …
… In this work, we aimed to apply a multi-stage virtualscreening approach including 3D pharmacophore, molecular docking, molecular dynamics, and MMPBSA calculations to screen the …
B Mercorelli, J Desantis, M Celegato, A Bazzacco… - Antiviral research, 2022 - Elsevier
… oriented virtualscreening campaigns to seek for novel chemical scaffolds for SARS-CoV-2 … Some of them exhibited antiviral activity in the low micromolar range against SARS-CoV-2 …
M Sisakht, A Mahmoodzadeh… - Phytotherapy …, 2021 - Wiley Online Library
… This study aims at screening a set of phytochemicals to find potent inhibitors of the main protease of SARS-CoV-2, as a possible approach in the fight against COVID-19. Molecular …
K Sanachai, T Somboon, P Wilasluck, P Deetanya… - Plos one, 2022 - journals.plos.org
… -2 causes the current global pandemic coronavirus disease … We applied the combination of virtualscreening based on … that could inhibit the 3CL pro of SARS-CoV-2. Three drugs were …
J Xiong, Y Xiang, Z Huang, X Liu, M Wang, G Ge… - Frontiers in …, 2021 - frontiersin.org
… as SARS-CoV-2 S-RBD/ACE2 interaction inhibitors. In this study, we described the virtual screening … (DC-RA016 and DC-RA052) against SARS-CoV-2 S-RBD/ACE2 interaction. The …
Full article: Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target Skip …
… coronavirus 2 (SARS-CoV-2). The 3CL protease (3CLpro) is the main protease of the SARS-CoV-2, … In this paper, we reported molecular docking-based virtualscreening (VS) of 2000 …
AM Metwaly, A Elwan, AAMM El-Attar… - Journal of …, 2022 - Wiley Online Library
Continuing our antecedent work against COVID‐19, a set of 5956 compounds of traditional Chinese medicine have been virtually screened for their potential against SARS‐CoV‐2 …