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

• Main Authors: Magdi E. A. Zaki (Author), Sami A. Al-Hussain (Author), Vijay H. Masand (Author), Siddhartha Akasapu (Author), Sumit O. Bajaj (Author), Nahed N. E. El-Sayed (Author), Arabinda Ghosh (Author), Israa Lewaa (Author)
• Format: Book
• Published: MDPI AG, 2021-04-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...