ABSTRACT

Dengue fever is a leading mosquito-transmitted viral infection. Dengue is a multifunctional protein. Serotype-specific DENV vaccine is long-term protection and more safety to be investigated. This study was conducted to design a new RNA Helicase inhibitor by in-silico method of ligand-receptor-based approaches. Pyrrole is a nitrogen-containing five-membered heterocyclic ring that owns biological and pharmaceutical various activities. In this study, a novel compound PL5 was synthesized and characterized by TLC, IR, NMR, and MASS spectral data. In-Silico studies using software to predict the physicochemical properties. Software is Molinspiration, Swiss ADME, and admetlab2.0. The Dengue virus RNA helicase protein is downloaded from the protein data bank website. Docking studies were conducted for the compounds on PDB ID: 2BHR by using AutoDock 1.5.7 software. To predict the binding affinity, the synthesized compounds are docked against the dengue virus RNA Helicase protein (2BHR). The synthesized compound is more binding affinity than the standard drug, so the compound PL5 is a potent inhibitor in RNA helicase protein. Keywords: RNA helicase, DENV vaccine, Pyrrole derivatives, Spectral data, Potent inhibitor
Publication date: 01/01/2024

https://ijbpas.com/pdf/2024/January/MS_IJBPAS_2024_7682.pdf

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https://doi.org/10.31032/IJBPAS/2024/13.1.7682