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Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies

BACKGROUND AND PURPOSE: The new coronavirus (Covid-19) has resulted in great global concerns. Due to the mortality of this virus, scientists from all over the world have been trying to employ different strategies to tackle down this concern. This virus enters cells via phagocytosis through binding t...

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Autores principales: Yazdani, Meysam, Khezri, Jafar, Hadizadeh, Nastaran, Amir Zakaria, Javad Zamani, Naderi, Mousa, Mahmoodian, Sahar, Karkhanei, Ali Asghar, Razi, Farideh, Sanati, Mohammad Hossein, Hashemi, Ehsan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Wolters Kluwer - Medknow 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8216164/
https://www.ncbi.nlm.nih.gov/pubmed/34221065
http://dx.doi.org/10.4103/1735-5362.314830
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author Yazdani, Meysam
Khezri, Jafar
Hadizadeh, Nastaran
Amir Zakaria, Javad Zamani
Naderi, Mousa
Mahmoodian, Sahar
Karkhanei, Ali Asghar
Razi, Farideh
Sanati, Mohammad Hossein
Hashemi, Ehsan
author_facet Yazdani, Meysam
Khezri, Jafar
Hadizadeh, Nastaran
Amir Zakaria, Javad Zamani
Naderi, Mousa
Mahmoodian, Sahar
Karkhanei, Ali Asghar
Razi, Farideh
Sanati, Mohammad Hossein
Hashemi, Ehsan
author_sort Yazdani, Meysam
collection PubMed
description BACKGROUND AND PURPOSE: The new coronavirus (Covid-19) has resulted in great global concerns. Due to the mortality of this virus, scientists from all over the world have been trying to employ different strategies to tackle down this concern. This virus enters cells via phagocytosis through binding to the angiotensin-converting enzyme II receptor. After invading the body, it can stay hidden in there for a period of up to 24 days (incubation period). EXPERIMENTAL APPROACH: In this report, by the use of in silico studies we selected several FDA-approved compounds that possess antiviral properties. We chose the viral Spike protein as the target of drug compounds and carried out the screening process for the FDA databank in order to find the most effective ligand. FINDINGS/RESULTS: The results from dock and MD revealed 10 compounds with high affinity to the receptor-binding domain motif of S protein. The best inhibitors were the ingredients of Depinar, which managed to effectively block the interactions between cells and virus. CONCLUSION AND IMPLICATION: The results of this study were approved by in silico studies and due to the lack of time; we did not test the efficiency of these compounds through in vitro and in vivo studies. However, the selected compounds are all FDA approved and some are supplements like vitamin B12 and don’t cause any side effects for patients.
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spelling pubmed-82161642021-07-02 Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies Yazdani, Meysam Khezri, Jafar Hadizadeh, Nastaran Amir Zakaria, Javad Zamani Naderi, Mousa Mahmoodian, Sahar Karkhanei, Ali Asghar Razi, Farideh Sanati, Mohammad Hossein Hashemi, Ehsan Res Pharm Sci Original Article BACKGROUND AND PURPOSE: The new coronavirus (Covid-19) has resulted in great global concerns. Due to the mortality of this virus, scientists from all over the world have been trying to employ different strategies to tackle down this concern. This virus enters cells via phagocytosis through binding to the angiotensin-converting enzyme II receptor. After invading the body, it can stay hidden in there for a period of up to 24 days (incubation period). EXPERIMENTAL APPROACH: In this report, by the use of in silico studies we selected several FDA-approved compounds that possess antiviral properties. We chose the viral Spike protein as the target of drug compounds and carried out the screening process for the FDA databank in order to find the most effective ligand. FINDINGS/RESULTS: The results from dock and MD revealed 10 compounds with high affinity to the receptor-binding domain motif of S protein. The best inhibitors were the ingredients of Depinar, which managed to effectively block the interactions between cells and virus. CONCLUSION AND IMPLICATION: The results of this study were approved by in silico studies and due to the lack of time; we did not test the efficiency of these compounds through in vitro and in vivo studies. However, the selected compounds are all FDA approved and some are supplements like vitamin B12 and don’t cause any side effects for patients. Wolters Kluwer - Medknow 2021-05-12 /pmc/articles/PMC8216164/ /pubmed/34221065 http://dx.doi.org/10.4103/1735-5362.314830 Text en Copyright: © 2021 Research in Pharmaceutical Sciences https://creativecommons.org/licenses/by-nc-sa/4.0/This is an open access journal, and articles are distributed under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 License, which allows others to remix, tweak, and build upon the work non-commercially, as long as appropriate credit is given and the new creations are licensed under the identical terms.
spellingShingle Original Article
Yazdani, Meysam
Khezri, Jafar
Hadizadeh, Nastaran
Amir Zakaria, Javad Zamani
Naderi, Mousa
Mahmoodian, Sahar
Karkhanei, Ali Asghar
Razi, Farideh
Sanati, Mohammad Hossein
Hashemi, Ehsan
Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies
title Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies
title_full Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies
title_fullStr Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies
title_full_unstemmed Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies
title_short Depinar, a drug that potentially inhibits the binding and entry of COVID-19 into host cells based on computer-aided studies
title_sort depinar, a drug that potentially inhibits the binding and entry of covid-19 into host cells based on computer-aided studies
topic Original Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8216164/
https://www.ncbi.nlm.nih.gov/pubmed/34221065
http://dx.doi.org/10.4103/1735-5362.314830
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