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  3. Comprehensive Studies on the Regulation of Type 2 Diabetes by Cucurbitane-Type Triterpenoids in Momordica charantia L.: Insights from Network Pharmacology and Molecular Docking and Dynamics

Comprehensive Studies on the Regulation of Type 2 Diabetes by Cucurbitane-Type Triterpenoids in Momordica charantia L.: Insights from Network Pharmacology and Molecular Docking and Dynamics

  • Pharmaceuticals (Basel). 2025 Mar 27;18(4):474. doi: 10.3390/ph18040474.
Yang Niu 1,  Peihang Li 1,  Zongran Pang 1
Affiliations

Affiliation

  • 1 Key Laboratory of Ethnic Medicine in Ministry of Education, School of Pharmacy, Minzu University of China, Beijing 100081, China.
PMID: 40283911 DOI: 10.3390/ph18040474
Abstract

Background/Objectives:Momordica charantia L. (M. charantia), a widely cultivated and frequently consumed medicinal plant, is utilized in traditional medicine. Cucurbitane-type triterpenoids, significant saponin components of M. charantia, exhibit hypoglycemic effects; however, the underlying mechanisms remain unclear. Methods: This study utilized comprehensive network pharmacology to identify potential components of M. charantia cucurbitane-type triterpenoids that may influence type 2 diabetes mellitus (T2DM). Additionally, molecular docking and molecular dynamics studies were performed to assess the stability of the interactions between the selected components and key targets. Results: In total, 22 candidate active components of M. charantia cucurbitane-type triterpenoids and 1165 disease targets for T2DM were identified through database screening. Molecular docking and molecular dynamics simulations were conducted for five key components (Kuguacin J, 25-O-methylkaravilagenin D, Momordicine I, momordic acid, and Kuguacin S) and three key targets (Akt1, IL6, and Src), and the results demonstrated stable binding. The experimental results indicate that the interactions between momordic acid-AKT1 and momordic acid-IL6 are stable. Conclusions: Momordic acid may play a crucial role in M. charantia's regulation of T2DM, and Akt1 and IL6 seem to be key targets for the therapeutic action of M. charantia in managing T2DM.

Keywords

Momordica charantia L.; cucurbitane-type triterpenoids; molecular docking; molecular dynamics simulation; network pharmacology; type 2 diabetes.

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