Identification of Anti-SARS-CoV-2 Compounds from Food Using QSAR-Based Virtual Screening, Molecular Docking, and Molecular Dynamics Simulation Analysis

Due to the genetic similarity between SARS-CoV-2 and SARS-CoV, the present work endeavored to derive a balanced Quantitative Structure−Activity Relationship (QSAR) model, molecular docking, and molecular dynamics (MD) simulation studies to identify novel molecules having inhibitory potential against...

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Autors principals:	Magdi E. A. Zaki, Sami A. Al-Hussain, Vijay H. Masand, Siddhartha Akasapu, Sumit O. Bajaj, Nahed N. E. El-Sayed, Arabinda Ghosh, Israa Lewaa
Format:	Artigo
Idioma:	Inglês
Publicat:	MDPI AG 2021-04-01
Col·lecció:	Pharmaceuticals
Matèries:	SARS-CoV SARS-CoV-2 COVID-19 QSAR molecular docking QSAR-based virtual screening
Accés en línia:	https://www.mdpi.com/1424-8247/14/4/357
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