In silico study identifies RO 28-2653 as a novel drug against SARS-CoV2 mutant strains Online publication date: Mon, 21-Mar-2022
by Srija Mukherjee; Santanu Paul
International Journal of Computational Biology and Drug Design (IJCBDD), Vol. 14, No. 6, 2021
Abstract: Introduction: Concerning the current pandemic situation, the world is facing due to the highly infectious coronavirus (SARS-CoV2), we aim to gain some insight into the pre-existing drugs and compounds for curing the disease. Method: Here, we have studied the interaction of 10 drug molecules by in silico study against three targets, Angiotensin Convertase Enzyme-2 receptor (ACE-2), main protease (Mpro) and RNA dependent RNA polymerase (RDRP) and further analysed the interaction of the best docked compound against spike mutants. Results: By analysing the protein-ligand interactions by docking, and molecular dynamics simulation, it proves that RO 28-2653 can be a potent candidate drug for future COVID treatment even against the mutant strains. Conclusion: The used drugs have been implicated in asthma, hypertension, etc., so repurposing these drugs can have a beneficial role on COVID-19, keeping in mind that any drug should be used in a certain prescribed dosage.
Online publication date: Mon, 21-Mar-2022
If you are not a subscriber and you just want to read the full contents of this article, buy online access here.Complimentary Subscribers, Editors or Members of the Editorial Board of the International Journal of Computational Biology and Drug Design (IJCBDD):
Login with your Inderscience username and password:
Want to subscribe?
A subscription gives you complete access to all articles in the current issue, as well as to all articles in the previous three years (where applicable). See our Orders page to subscribe.
If you still need assistance, please email email@example.com