Virtual Screening of Natural Compounds as Potential SARS-CoV-2 Main Protease Inhibitors: A Molecular Docking and Molecular Dynamics Simulation Guided Approach
The 2019 coronavirus (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has significantly impacted human lives, overburdened the healthcare system, and weakened global economies. The lack of specific drugs against SARS-CoV-2 is a significant hurdle toward the...
Saved in:
Main Authors: | Deepak K. Lokwani, Sangita R. Chavan, Aniket P. Sarkate, Prabhu M. Natarajan, Vidhya R. Umapathy, Shirish P. Jain |
---|---|
Format: | Article |
Language: | English |
Published: |
MDPI AG
2023-11-01
|
Series: | Chemistry Proceedings |
Subjects: | |
Online Access: | https://www.mdpi.com/2673-4583/14/1/85 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Hydroxyethylamine based analog targets microtubule assembly: an in silico study for anti-cancerous drug development
by: Pawan Kumar, et al.
Published: (2024-12-01) -
Rational design of some 1,3,4 trisubstituted pyrazole-thiazole derivatives to serve as MtInhA inhibitors using QSAR, ADMET, molecular docking, MM-GBSA, and molecular dynamics simulations approach
by: Neha M. Mhetre, et al.
Published: (2024-12-01) -
Benzocarbazoledinones as SARS-CoV-2 Replication Inhibitors: Synthesis, Cell-Based Studies, Enzyme Inhibition, Molecular Modeling, and Pharmacokinetics Insights
by: Luana G. de Souza, et al.
Published: (2024-11-01) -
Structural insights into the potential binding sites of Cathepsin D using molecular modelling techniques
by: Subodh A. Kamble, et al.
Published: (2024-04-01) -
Salinity Stress in <i>Calendula officinalis</i>: Negative Growth Impacts Offset by Increased Flowering Yield and the Mitigating Role of Zinc
by: Wagdi Saber Soliman, et al.
Published: (2024-12-01)