In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease

Roney, Miah and Huq, A. K. M. Moyeenul and Mohd Fadhlizil Fasihi, Mohd Aluwi and Saiful Nizam, Tajuddin (2023) In-silico design of curcumin analogs as potential inhibitors of dengue virus NS2B/NS3 protease. Journal of Computational Biophysics and Chemistry. pp. 1-9. ISSN 2737-4173. (In Press / Online First) (In Press / Online First)

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DOI/Official URL: https://doi.org/10.1142/S2737416523500321

Abstract

Curcumin can interact with a variety of molecules implicated in a wide range of disorders. It can also hinder dengue virus’s (DENV’s) ability to infect cells. This work used computational analysis to identify and forecast the most potent curcumin analogs against the DENV NS2B/NS3 protease. In this study, curcumin-like compounds were screened using a rational in-silico study, with the least similarity score, docking analysis, and then additional screening for suitable pharmacokinetic properties. According to the findings, DB11672 has been identified as the primary inhibitor of DENV NS2B/NS3 protease. It is recommended that additional research be done on this antiviral property of the lead compound as a part of the process of finding and developing a new drug against DENV.

Item Type:	Article
Additional Information:	Indexed by Scopus
Uncontrolled Keywords:	Anti-dengue; Curcumin; Dengue virus; In-silico; NS2B/NS3 protease
Subjects:	Q Science > Q Science (General) R Medicine > RA Public aspects of medicine
Faculty/Division:	Faculty of Industrial Sciences And Technology Institute of Postgraduate Studies
Depositing User:	Mrs Norsaini Abdul Samat
Date Deposited:	01 Aug 2023 02:55
Last Modified:	01 Aug 2023 02:55
URI:	http://umpir.ump.edu.my/id/eprint/38177
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