@inproceedings{b8d06b9cda6244bc8c103992820b1ce9,
title = "Virtual screening for finding inhibitor against the main protease of SARS-Cov-2 from the FDA-approved drugs database",
abstract = "At the end of 2019,a new coronavirus suddenly broke out all over the world.To date, there is still no targeted medicine available for the treatment of this disease. Vaccineis essential for controlling the epidemicofSARS-CoV-2. But the effective ofvaccine was reduced because of the SARS-CoV-2constant mutation. It is gratifying that scientistuncover theinfection mechanisms of the SARS-CoV-2. The main protease of SARS-CoV-2 is highly conserved and plays an important role of the life cycle of virus. Therefore, we executed virtual screening on the FDA-approved database and hoped to find a potential candidate against the main protease. As a result, we obtained eight available active compounds derived from the database through molecular dynamics simulations. As antiviral treatment candidates, the drugs can also be used to clinical emergencies.",
keywords = "FDA drugs database, Molecular dynamics simulation, SARS-CoV-2",
author = "Xiaogang Liu and Shiye Wu and Zitong Zhu and Ying Wang and Binquan Gou",
note = "Publisher Copyright: {\textcopyright} 2022 SPIE. All rights reserved.; 2022 International Conference on Biomedical and Intelligent Systems, IC-BIS 2022 ; Conference date: 24-06-2022 Through 26-06-2022",
year = "2022",
doi = "10.1117/12.2660944",
language = "English",
series = "Proceedings of SPIE - The International Society for Optical Engineering",
publisher = "SPIE",
editor = "Ahmed El-Hashash",
booktitle = "International Conference on Biomedical and Intelligent Systems, IC-BIS 2022",
address = "United States",
}
