Version 1
: Received: 14 March 2020 / Approved: 15 March 2020 / Online: 15 March 2020 (15:11:22 CET)
How to cite:
Sun, N.; Wong, W.; Guo, J. Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine. Preprints2020, 2020030247. https://doi.org/10.20944/preprints202003.0247.v1
Sun, N.; Wong, W.; Guo, J. Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine. Preprints 2020, 2020030247. https://doi.org/10.20944/preprints202003.0247.v1
Sun, N.; Wong, W.; Guo, J. Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine. Preprints2020, 2020030247. https://doi.org/10.20944/preprints202003.0247.v1
APA Style
Sun, N., Wong, W., & Guo, J. (2020). Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine. Preprints. https://doi.org/10.20944/preprints202003.0247.v1
Chicago/Turabian Style
Sun, N., Wing-Leung Wong and Jiao Guo. 2020 "Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine" Preprints. https://doi.org/10.20944/preprints202003.0247.v1
Abstract
The recent outbreak of coronavirus disease 2019 caused by the new coronavirus, SARS-CoV-2, has become an international emergency. Since there is no effective therapy for the treatment of this disease, drugs or vaccine that can prevent or cure the SARS-CoV-2 infection are urgently needed. The viral 3-chymotrypsin-like cysteine protease (3CLpro), which plays a key role in the replication of coronavirus, is a potential drug target for the development of anti-SARS-CoV-2 drugs. With the crystal structure of 3CLpro, we performed virtual screening from a small chemical library of a Traditional Chinese Medicine recipe- FuFang Zhenzhu Tiaozhi (FTZ). Five compounds with the best scores were screened and could be considered as potential hit compounds to be investigated further with bioassays for their anti-virus effects.
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
