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The Discovery of Small Allosteric and Active Site Inhibitors of the SARS-CoV-2 Main Protease via Structure-Based Virtual Screening and Biological Evaluation.

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Title: The Discovery of Small Allosteric and Active Site Inhibitors of the SARS-CoV-2 Main Protease via Structure-Based Virtual Screening and Biological Evaluation.
Authors: Mahgoub RE; College of Pharmacy, Al Ain University, Abu Dhabi 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 64141, United Arab Emirates., Mohamed FE; Department of Genetics and Genomics, College of Medicine and Health Sciences, United Arab Emirates University, Al-Ain 15551, United Arab Emirates., Alzyoud L; College of Pharmacy, Al Ain University, Abu Dhabi 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 64141, United Arab Emirates., Ali BR; Department of Genetics and Genomics, College of Medicine and Health Sciences, United Arab Emirates University, Al-Ain 15551, United Arab Emirates.; Zayed Centre for Health Sciences, United Arab Emirates University, Al-Ain 15551, United Arab Emirates., Ferreira J; Science Division, New York University Abu Dhabi, Abu Dhabi 129188, United Arab Emirates., Rabeh WM; Science Division, New York University Abu Dhabi, Abu Dhabi 129188, United Arab Emirates., AlNeyadi SS; Department of Chemistry, College of Science, United Arab Emirates University, Al-Ain 15551, United Arab Emirates., Atatreh N; College of Pharmacy, Al Ain University, Abu Dhabi 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 64141, United Arab Emirates., Ghattas MA; College of Pharmacy, Al Ain University, Abu Dhabi 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 64141, United Arab Emirates.
Source: Molecules (Basel, Switzerland) [Molecules] 2022 Oct 09; Vol. 27 (19). Date of Electronic Publication: 2022 Oct 09.
Publication Type: Journal Article
Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: The Discovery of Small Allosteric and Active Site Inhibitors of the SARS-CoV-2 Main Protease via Structure-Based Virtual Screening and Biological Evaluation.
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  Data: <searchLink fieldCode="AU" term="%22Mahgoub+RE%22">Mahgoub RE</searchLink>; College of Pharmacy, Al Ain University, Abu Dhabi 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 64141, United Arab Emirates.<br /><searchLink fieldCode="AU" term="%22Mohamed+FE%22">Mohamed FE</searchLink>; Department of Genetics and Genomics, College of Medicine and Health Sciences, United Arab Emirates University, Al-Ain 15551, United Arab Emirates.<br /><searchLink fieldCode="AU" term="%22Alzyoud+L%22">Alzyoud L</searchLink>; College of Pharmacy, Al Ain University, Abu Dhabi 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 64141, United Arab Emirates.<br /><searchLink fieldCode="AU" term="%22Ali+BR%22">Ali BR</searchLink>; Department of Genetics and Genomics, College of Medicine and Health Sciences, United Arab Emirates University, Al-Ain 15551, United Arab Emirates.; Zayed Centre for Health Sciences, United Arab Emirates University, Al-Ain 15551, United Arab Emirates.<br /><searchLink fieldCode="AU" term="%22Ferreira+J%22">Ferreira J</searchLink>; Science Division, New York University Abu Dhabi, Abu Dhabi 129188, United Arab Emirates.<br /><searchLink fieldCode="AU" term="%22Rabeh+WM%22">Rabeh WM</searchLink>; Science Division, New York University Abu Dhabi, Abu Dhabi 129188, United Arab Emirates.<br /><searchLink fieldCode="AU" term="%22AlNeyadi+SS%22">AlNeyadi SS</searchLink>; Department of Chemistry, College of Science, United Arab Emirates University, Al-Ain 15551, United Arab Emirates.<br /><searchLink fieldCode="AU" term="%22Atatreh+N%22">Atatreh N</searchLink>; College of Pharmacy, Al Ain University, Abu Dhabi 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 64141, United Arab Emirates.<br /><searchLink fieldCode="AU" term="%22Ghattas+MA%22">Ghattas MA</searchLink>; College of Pharmacy, Al Ain University, Abu Dhabi 64141, United Arab Emirates.; AAU Health and Biomedical Research Center, Al Ain University, Abu Dhabi 64141, United Arab Emirates.
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  Data: <searchLink fieldCode="JN" term="%22100964009%22">Molecules (Basel, Switzerland)</searchLink> [Molecules] 2022 Oct 09; Vol. 27 (19). <i>Date of Electronic Publication: </i>2022 Oct 09.
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        Value: 10.3390/molecules27196710
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        Text: English
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              Text: 2022 Oct 09
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