Journal article
Computational View toward the Inhibition of SARS-CoV-2 Spike Glycoprotein and the 3CL Protease
Computation, v 8(2)
01 Jun 2020
PMID: 32661494
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
Since the outbreak of the 2019 novel coronavirus disease (COVID-19), the medical research community is vigorously seeking a treatment to control the infection and save the lives of severely infected patients. The main potential candidates for the control of viruses are virally targeted agents. In this short letter, we report our calculations on the inhibitors for the SARS-CoV-2 3CL protease and the spike protein for the potential treatment of COVID-19. The results show that the most potent inhibitors of the SARS-CoV-2 3CL protease include saquinavir, tadalafil, rivaroxaban, sildenafil, dasatinib, etc. Ergotamine, amphotericin b, and vancomycin are most promising to block the interaction of the SARS-CoV-2 S-protein with human ACE-2.
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Details
- Title
- Computational View toward the Inhibition of SARS-CoV-2 Spike Glycoprotein and the 3CL Protease
- Creators
- Zhen Qiao - Brown UniversityHongtao Zhang - University of PennsylvaniaHai-Feng Ji - Drexel UniversityQian Chen - Brown University
- Publication Details
- Computation, v 8(2)
- Publisher
- Mdpi
- Number of pages
- 9
- Grant note
- R01HL128895 / NIH; United States Department of Health & Human Services; National Institutes of Health (NIH) - USA
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000551199500002
- Scopus ID
- 2-s2.0-85087461642
- Other Identifier
- 991019330629504721
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- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Mathematics, Interdisciplinary Applications