Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein

Exploring the Binding Effects of Natural Products and Antihypertensive Drugs on SARS-CoV-2: An In Silico Investigation of Main Protease and Spike Protein

In this in silico study, we conducted an in-depth exploration of the potential of natural products and antihypertensive molecules that could serve as inhibitors targeting the key proteins of the SARS-CoV-2 virus: the main protease (Mpro) and the spike (S) protein. By utilizing Induced Fit Docking (I...

Full description

Bibliographic Details
Main Authors: Kalliopi Moschovou, Maria Antoniou, Eleni Chontzopoulou, Konstantinos D. Papavasileiou, Georgia Melagraki, Antreas Afantitis, Thomas Mavromoustakos
Format: Article
Language:English
Published: MDPI AG 2023-11-01
Series:International Journal of Molecular Sciences
Subjects:
SARS-CoV-2
main protease
spike protein
molecular docking
molecular dynamics simulations
similarity search
Online Access:https://www.mdpi.com/1422-0067/24/21/15894

Internet

https://www.mdpi.com/1422-0067/24/21/15894

Similar Items