Version 1
: Received: 19 April 2020 / Approved: 20 April 2020 / Online: 20 April 2020 (16:01:29 CEST)
Version 2
: Received: 30 July 2020 / Approved: 2 August 2020 / Online: 2 August 2020 (09:23:18 CEST)
How to cite:
Sajib, A. Repurposing of Approved Drugs with Potential to Block SARS-CoV-2 Surface Glycoprotein Interaction with Host Receptor. Preprints2020, 2020040369. https://doi.org/10.20944/preprints202004.0369.v1
Sajib, A. Repurposing of Approved Drugs with Potential to Block SARS-CoV-2 Surface Glycoprotein Interaction with Host Receptor. Preprints 2020, 2020040369. https://doi.org/10.20944/preprints202004.0369.v1
Sajib, A. Repurposing of Approved Drugs with Potential to Block SARS-CoV-2 Surface Glycoprotein Interaction with Host Receptor. Preprints2020, 2020040369. https://doi.org/10.20944/preprints202004.0369.v1
APA Style
Sajib, A. (2020). Repurposing of Approved Drugs with Potential to Block SARS-CoV-2 Surface Glycoprotein Interaction with Host Receptor. Preprints. https://doi.org/10.20944/preprints202004.0369.v1
Chicago/Turabian Style
Sajib, A. 2020 "Repurposing of Approved Drugs with Potential to Block SARS-CoV-2 Surface Glycoprotein Interaction with Host Receptor" Preprints. https://doi.org/10.20944/preprints202004.0369.v1
Abstract
Background: Respiratory transmission is the primary route of SARS-CoV-2 infection. Angiotensin I converting enzyme 2 (ACE2) is the known receptor of SARS-CoV-2 spike glycoprotein for entry into human cells. A recent study reported absent to low ACE2 promoter activity in a variety of human lung epithelial cell samples. Three bioprojects (PRJEB4337, PRJNA270632 and PRJNA280600) invariably found abundant expression of ACE in human lungs compared to very low expression of ACE2. Methods:In silico tools were applied to assess potential interaction of SARS-CoV-2 surface spike protein with human ACE as well as predict the drugs that may block SARS-CoV-2 interaction with host receptor. Results: Although it is not obvious from the primary sequence alignment of ACE2 and its homolog ACE (also known as ACE1), comparison of X-ray crystallographic structures show striking similarity in the regions of these proteins which is known (for ACE2) to interact with the receptor binding domain (RBD) of SARS-CoV-2 spike protein. Critical amino acids that mediate interaction with the viral spike protein in ACE2 are organized in the same order in ACE. In silico analyses predicts comparable interaction of SARS-CoV-2 spike protein with ACE2 and ACE. In addition, this study predicts and selects already approved drugs from a list of 1263, which may interfere with the binding of SARS-CoV-2 spike glycoprotein to ACE2 and/or ACE.
Keywords
COVID-19; SARS-CoV-2; Spike protein; ACE; ACE2
Subject
Biology and Life Sciences, Virology
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.
Received:
22 April 2020
Commenter:
Yuhan Cho
The commenter has declared there is no conflict of interests.
Comment:
I think author need to read paper before doing the analysis. There are so many comprehensive work (some list below). So, this one is just meaningless, making a paper for a paper.
Received:
22 April 2020
The commenter has declared there is no conflict of interests.
Comment:
No MD simulation done. So many comprehensive work have been done already on it. So, just docking is meaningless, nothing add to science. I following papers provide more insight.
Commenter: Yadi Zohus
The commenter has declared there is no conflict of interests.
https://www.nature.com/articles/s41421-020-0153-3
https://s3-eu-west-1.amazonaws.com/itempdf74155353254prod/11871402/Repurposing_Therapeutics_for_COVID-19__Supercomputer-Based_Docking_to_the_SARS-CoV-2_Viral_Spike_Protein_and_Viral_Spike_v4.pdf
https://chemrxiv.org/articles/Identification_of_SARS-CoV-2_Cell_Entry_Inhibitors_by_Drug_Repurposing_Using_in_Silico_Structure-Based_Virtual_Screening_Approach/12005988/2?file=22282821
https://www.researchgate.net/publication/340122235_Virtual_Screening_of_Inhibitors_Against_Spike_Glycoprotein_of_SARS-CoV-2_A_Drug_Repurposing_Approach
https://arxiv.org/pdf/2003.14333.pdf
https://aac.asm.org/content/58/8/4885
https://www.tebu-bio.com/blog/2020/03/27/new-sars-cov-ace2-inhibitor-assays-and-small-molecules-for-drug-discovery/
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Commenter: Yuhan Cho
The commenter has declared there is no conflict of interests.
https://www.nature.com/articles/s41421-020-0153-3
https://www.researchgate.net/publication/339388181_Repurposing_Therapeutics_for_the_Wuhan_Coronavirus_nCov-2019_Supercomputer-Based_Docking_to_the_Viral_S_Protein_and_Human_ACE2_Interface
https://chemrxiv.org/articles/Identification_of_SARS-CoV-2_Cell_Entry_Inhibitors_by_Drug_Repurposing_Using_in_Silico_Structure-Based_Virtual_Screening_Approach/12005988/2?file=22282821
https://www.researchgate.net/publication/340122235_Virtual_Screening_of_Inhibitors_Against_Spike_Glycoprotein_of_SARS-CoV-2_A_Drug_Repurposing_Approach
https://arxiv.org/pdf/2003.14333.pdf
https://www.sciencedirect.com/science/article/pii/S1359644620301458
https://aac.asm.org/content/58/8/4885
https://www.tebu-bio.com/blog/2020/03/27/new-sars-cov-ace2-inhibitor-assays-and-small-molecules-for-drug-discovery/
https://s3-eu-west-1.amazonaws.com/itempdf74155353254prod/11871402/Repurposing_Therapeutics_for_COVID-19__Supercomputer-Based_Docking_to_the_SARS-CoV-2_Viral_Spike_Protein_and_Viral_Spike_v4.pdf
https://www.researchgate.net/publication/339388181_Repurposing_Therapeutics_for_the_Wuhan_Coronavirus_nCov-2019_Supercomputer-Based_Docking_to_the_Viral_S_Protein_and_Human_ACE2_Interface
The commenter has declared there is no conflict of interests.
https://www.nature.com/articles/s41421-020-0153-3
https://www.researchgate.net/publication/339388181_Repurposing_Therapeutics_for_the_Wuhan_Coronavirus_nCov-2019_Supercomputer-Based_Docking_to_the_Viral_S_Protein_and_Human_ACE2_Interface
https://chemrxiv.org/articles/Identification_of_SARS-CoV-2_Cell_Entry_Inhibitors_by_Drug_Repurposing_Using_in_Silico_Structure-Based_Virtual_Screening_Approach/12005988/2?file=22282821
https://www.researchgate.net/publication/340122235_Virtual_Screening_of_Inhibitors_Against_Spike_Glycoprotein_of_SARS-CoV-2_A_Drug_Repurposing_Approach
https://arxiv.org/pdf/2003.14333.pdf
https://www.sciencedirect.com/science/article/pii/S1359644620301458
https://aac.asm.org/content/58/8/4885
https://www.tebu-bio.com/blog/2020/03/27/new-sars-cov-ace2-inhibitor-assays-and-small-molecules-for-drug-discovery/
https://s3-eu-west-1.amazonaws.com/itempdf74155353254prod/11871402/Repurposing_Therapeutics_for_COVID-19__Supercomputer-Based_Docking_to_the_SARS-CoV-2_Viral_Spike_Protein_and_Viral_Spike_v4.pdf
https://www.researchgate.net/publication/339388181_Repurposing_Therapeutics_for_the_Wuhan_Coronavirus_nCov-2019_Supercomputer-Based_Docking_to_the_Viral_S_Protein_and_Human_ACE2_Interface