Version 1
: Received: 27 February 2020 / Approved: 28 February 2020 / Online: 28 February 2020 (16:26:53 CET)
How to cite:
Yan, S.; Sun, H.; Bu, X.; Wan, G. An Evolutionary RGD Motif in the Spike Protein of SARS-CoV-2 may Serve as a Potential High Risk Factor for Virus Infection?. Preprints2020, 2020020447. https://doi.org/10.20944/preprints202002.0447.v1
Yan, S.; Sun, H.; Bu, X.; Wan, G. An Evolutionary RGD Motif in the Spike Protein of SARS-CoV-2 may Serve as a Potential High Risk Factor for Virus Infection? . Preprints 2020, 2020020447. https://doi.org/10.20944/preprints202002.0447.v1
Yan, S.; Sun, H.; Bu, X.; Wan, G. An Evolutionary RGD Motif in the Spike Protein of SARS-CoV-2 may Serve as a Potential High Risk Factor for Virus Infection?. Preprints2020, 2020020447. https://doi.org/10.20944/preprints202002.0447.v1
APA Style
Yan, S., Sun, H., Bu, X., & Wan, G. (2020). An Evolutionary RGD Motif in the Spike Protein of SARS-CoV-2 may Serve as a Potential High Risk Factor for Virus Infection?<strong> </strong>. Preprints. https://doi.org/10.20944/preprints202002.0447.v1
Chicago/Turabian Style
Yan, S., Xianzhang Bu and Guohui Wan. 2020 "An Evolutionary RGD Motif in the Spike Protein of SARS-CoV-2 may Serve as a Potential High Risk Factor for Virus Infection?<strong> </strong>" Preprints. https://doi.org/10.20944/preprints202002.0447.v1
Abstract
Pneumonia caused by a new coronavirus SARS-CoV-2 has caused serious harm to people's lives and health in Wuhan, China. By February 26, 2020, over 80,000 people were infected and 2,814 died from the infection. The initial route of infection is the binding of the spike protein (S protein) of the virus to the angiotensin-converting enzyme 2 (ACE2). From bioinformatics analysis, we found that the S protein of SARS-CoV-2 produced an evolutionary mutation of K403R compared with the S protein of SARS-CoV, forming an adjacent RGD motif at the interaction surface. As the RGD motif is considered as a ligand for many cell surface integrins, we proposed that the binding of S protein of SARS-CoV-2 with integrins may facilitate the infection process of the virus. Therefore, high-throughput virtual screening was performed by choosing the key residues of S protein interface of SARS-CoV-2 and the adjacent RGD motif as potential binding site, to search for the potential agents targeting interaction of S protein of SARS-CoV-2 with both ACE2 and integrins as potential therapeutic drugs. Various libraries including the FDA-approved drugs etc. were screened, and Nadide, Losartan, 9'''-Methyllithospermate B and Leonurine etc. were identified as representative potential drugs candidate for COVID-19.
Medicine and Pharmacology, Pathology and Pathobiology
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.
