Inhibition potential of margolonone and isomargolonone against the dengue virus protease using molecular modeling approaches

Inhibition potential of margolonone and isomargolonone against the dengue virus protease using molecular modeling approaches

BackgroundDengue is a mosquito-borne viral disease with no cure. Inhibiting key enzymes vital in replication could manage the dengue virus infection. This study investigated the potential of margolonone and isomargolonone from Azadirachta indica to inhibit dengue virus replication.MethodsThe 3D stru...

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Bibliographic Details
Main Authors: Gourav Choudhir, Faiza Iram, Israil, Mohammad Shahid, Anas Shamsi, Md Imtaiyaz Hassan, Asimul Islam
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-03-01
Series:Frontiers in Bioinformatics
Subjects:
NS3 protease
integrating modeling
natural product
binding energy
nontoxic
Online Access:https://www.frontiersin.org/articles/10.3389/fbinf.2025.1517115/full
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