ItemArticle

Computational identification of microbial metabolites as potential inhibitors of mosquito juvenile hormone binding protein for vector control

Title
Computational identification of microbial metabolites as potential inhibitors of mosquito juvenile hormone binding protein for vector control
Creator
George, Jincy A.; Antony, Febin; Sridharan, Upasana; Paari, Kuppusamy Alagesan
Description
A group of acyclic sesquiterpenoids, that form the Juvenile hormone is crucial in the developmental physiology of insects. Aedes aegypti is crucial in spreading fatal diseases such as dengue, and dengue hemorrhagic fever. The mosquito undergoes several stages of development, from the egg to the adult stage, utilizing its innate immunity system and juvenile hormone proteins. Thus, targeting the juvenile hormone-binding proteins can potentially inhibit the developmental stages of the mosquito. The mosquito juvenile hormone binding protein (mJHBP) of Aedes aegypti was obtained from the RCSB (PDB). The study identified that Talaromyces islandicus and Bacillus velezensis produced secondary metabolites that act as efficient ligand complexes. The secondary metabolites were procured from PubChem and docked to the binding sites of mJHBP. Among the 26 listed ligand compounds, oxalic acid, decyl 3,5-difluorophenyl ester, oxalic acid 3,5-difluorophenyl undecyl ester, and poctylacetophenone were found to have higher binding affinity, marking their efficiency in inhibiting the protein. Normal mode analysis studies were performed using iMODs to analyze the B-factor, variance, covariance, and Eigenvalues of the docked protein-ligand complexes. The Absorption, Distribution, Metabolism and Excretion (ADME) properties of the efficient ligand molecules were analyzed using the Swiss ADME tool to segregate potential drug candidates. Targeting the mJHBP complex using the microbial metabolite ligand molecules can inhibit the development of the mosquitoes. The work enlightens the futuristic development of potential candidates in the production of insecticides. The literature confirms it is the first of its type to utilize microbial bio compounds as ligands targeting the mJHB protein complex. : Author (s). Publishing rights @ ANSF.
Source
Journal of Applied and Natural Science;Volume;17;Issue;3;pp.1202-1213
Date
01-01-2025
Publisher
Applied and Natural Science Foundation
Subject
ADME analysis; Bacillus velezensis; Juvenile hormone binding protein; microbial metabolites; molecular docking; Talaromyces islandicus
Coverage
George J.A., Department of Zoology, St. Josephs University, Bengaluru, India; Antony F., Department of Computer Science, Westford University College, Sharjah, United Arab Emirates; Sridharan U., Department of Chemistry, University of California, Davis, CA, United States; Paari K.A., Department of Life Science, CHRIST (Deemed to be University), Bangalore, India
Rights
All Open Access; Gold Open Access; Green Open Access
Relation
ISSN: 9749411;
Format
online
Language
English
Type
Article

Citation

George, Jincy A.; Antony, Febin; Sridharan, Upasana; Paari, Kuppusamy Alagesan, “Computational identification of microbial metabolites as potential inhibitors of mosquito juvenile hormone binding protein for vector control,” CHRIST (Deemed To Be University) Institutional Repository, accessed June 22, 2026, https://archives.christuniversity.in/items/show/23470.

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