Structure- and Ligand-Based in silico Studies towards the Repurposing of Marine Bioactive Compounds to Target SARS-CoV-2

Structure- and Ligand-Based in silico Studies towards the Repurposing of Marine Bioactive Compounds to Target SARS-CoV-2

This work was a structured virtual screening for marine bioactive compounds with reported antiviral activities which were subjected to structure-based studies against SARS-CoV-2 co-crystallized proteins. The molecular docking of marine bioactive compounds against the main protease (Mpro, PDB ID: 6lu...

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Bibliographic Details
Main Authors: Marwa A.A. Fayed, Mohammed Farrag El-Behairy, Inas A. Abdallah, Hend Mohamed Abdel-Bar, Hanan Elimam, Ahmed Mostafa, Yassmin Moatasim, Khaled A.M. Abouzid, Yaseen A.M.M. Elshaier
Format: Article
Language:English
Published: Elsevier 2021-04-01
Series:Arabian Journal of Chemistry
Subjects:
Marine metabolites
Structure- and ligand-based
Docking
Shape alignment
Druggability
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535221001076

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http://www.sciencedirect.com/science/article/pii/S1878535221001076

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