Integrative GC-MS, network pharmacology, and molecular dynamics elucidate synergistic anti-diabetic mechanisms of Chongqing Citrus reticulata ‘Dahongpao’ volatile oil via multi-target stabilization

Citrus reticulata 'Dahongpao' essential oil combats diabetes through synergistic multi-target modulation, validated by dynamic ligand-protein stability and energetics. This study presents an in silico framework that integrates phytochemical profiling and computational analyses to facilitate natural product drug discovery.

Authors

Institutions

Publication Details

Journal
PLoS ONE
Published
2026-01-16
DOI
https://doi.org/10.1371/journal.pone.0338723
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Integrative GC-MS, network pharmacology, and molecular dynamics elucidate synergistic anti-diabetic mechanisms of Chongqing Citrus reticulata ‘Dahongpao’ volatile oil via multi-target stabilization

Shujaat Ahamd, Wanting Zhong, JIan Wang, Jie Luo et al.
PLoS ONE
Computational Drug Discovery Methods
article

Integrative GC-MS, network pharmacology, and molecular dynamics elucidate synergistic anti-diabetic mechanisms of Chongqing Citrus reticulata ‘Dahongpao’ volatile oil via multi-target stabilization

Shujaat Ahamd, Wanting Zhong, JIan Wang, Jie Luo, YaYi Xiong
article en

Abstract

Citrus reticulata 'Dahongpao' essential oil combats diabetes through synergistic multi-target modulation, validated by dynamic ligand-protein stability and energetics. This study presents an in silico framework that integrates phytochemical profiling and computational analyses to facilitate natural product drug discovery.

PLoS ONEVol. 21(1)
Shaheed Benazir Bhutto University (PK), Chongqing University (CN), Chongqing Academy of Chinese Materia Medica (CN), Chongqing Medical University (CN)
Chongqing Medical University, Chongqing Municipal Education Commission, Centre Scientifique et Technique du Bâtiment
Openalex Percentile: Top 85%
Computational Drug Discovery Methods
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.