Mutation, reassortment and recombination have led to the evolution and the emergence of more pathogenic and new subtypes of influenza virus. The surge of highly mutated viruses has prompted the need of coherent solution for the so called “medical holocaust” viral outbreaks. The genotype 4 of EAH1N1 strain has been circulating in the swine population as a dominant genotype, exhibiting even human to human transmission. This has risen the possibility of causing another global health threat as a lethal viral outbreak in the future. The Computer Aided Drug Discovery (CADD) could be a prudent mechanism to develop new drug candidates against such disease for its mitigation. In this regard, the computationalin silicomethods had been envisaged in this research for the prediction of lead compounds against the selected proteins of EA H1N1 G4 strain, namely Haemagglutinin (HA) and Polymerase acidic protein(PA). The research focused on the selection of the target viral protein and molecular docking for the identification of putative ligands. It was followed by the identification of the probable mutations and assessment of effectiveness of identified drugs against their respective targets. Total of 3 compounds Enalapril, Enalaprilat and Ivabradine have been identified as a potential inhibitor of HA and PA protein that were prioritized on the basis of preference index parameter and binding energy of compound with the respective target. Besides, the probable mutations in each target protein in future were predicted and all these 3 top hits were found to be effective against mutated variant of these proteins. Thus, Enalapril, Enalaprilat and Ivabradine could be the lead compounds to explore further as multi target inhibiting drugs against wild and mutant variant of target proteins.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
customersupport@researchsolutions.com
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.