Molecular docking unveils the potential of andrographolide derivatives against COVID-19: an in silico approach.

Ravichandran VeerasamyRohini Karunakaran

Published in: Journal, genetic engineering & biotechnology (2022)

Overall results of the present study concluded that AGP derivatives 14 and 15 could be the best 'lead' candidate for the treatment against SARS-CoV-2 infection. However, molecular dynamic studies and pharmacological screenings are essential to developing AGP derivatives 14 and 15 as a drug against COVID-19.

Keyphrases

molecular docking
coronavirus disease
sars cov
molecular dynamics simulations
respiratory syndrome coronavirus
structure activity relationship
risk assessment
adverse drug
climate change
electronic health record