Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
Huazhong University of Science and Technology · Shenyang Pharmaceutical University
Abstract
SARS-CoV-2 has caused tens of thousands of infections and more than one thousand deaths. There are currently no registered therapies for treating coronavirus infections. Because of time consuming process of new drug development, drug repositioning may be the only solution to the epidemic of sudden infectious diseases. We systematically analyzed all the proteins encoded by SARS-CoV-2 genes, compared them with proteins from other coronaviruses, predicted their structures, and built 19 structures that could be done by homology modeling. By performing target-based virtual ligand screening, a total of 21 targets (including two human targets) were screened against compound libraries including ZINC drug database and…
Citation impact
- FWCI
- 57.35
- Percentile
- 100%
- References
- 56
Authors
13Topics & keywords
- Drug discovery
- Computational biology
- Virtual screening
- Drug
- Drug repositioning
- Protease
- Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
- Coronavirus
- Good health and well-being
Funding
- NNNational Natural Science Foundation of ChinaAwards: 81773594, 2019ZX09721001, U1803122, COVID-19, 81773637, U1703111
- HUHenan University of Science and TechnologyAward: 2020kfyXGYJ037
- NONational Outstanding Youth Science Fund Project of National Natural Science Foundation of ChinaAwards: 81773637, 81773594, U1803122, U1703111
- FRFundamental Research Funds for the Central UniversitiesAwards: 81773637, 81773594, 2020kfyXGYJ037