Effects and molecular mechanisms of the combination of Andrographis paniculata and Anredera cordifolia as an insulin sensitizer: in vitro, network pharmacology, molecular docking, and dynamics studies

Sangande, Frangky and Ningsih, Sri and Agustini, Kurnia and Kusumastuti, Siska Andrina and Nuralih, Nuralih and Fajriawan, Adam Arditya and Chandra, Michael and Rosmalawati, Syofi and Asnawi, Aiyi and Budipramana, Krisyanti (2025) Effects and molecular mechanisms of the combination of Andrographis paniculata and Anredera cordifolia as an insulin sensitizer: in vitro, network pharmacology, molecular docking, and dynamics studies. Journal of Biomolecular Structure and Dynamics. pp. 1-11. ISSN 0739-1102

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Abstract

Due to the complex mechanism of insulin resistance (IR), multi-component herbal medicines might be an alternative approach in the treatment of IR-related diseases, such as type 2 diabetes mellitus (T2DM). Andrographis paniculata (AP) and Anredera cordifolia (AC) have been reported to have anti-diabetic effects. However, their effect and mechanism of action in a mixed formula (FAPAC), especially as an insulin sensitizer have not been reported. Therefore, in vitro studies were performed to investigate the effect of FAPAC, and the molecular mechanisms were predicted by in silico studies through network pharmacology, molecular docking, and dynamics simulations. In vitro studies demonstrated that FAPAC at 2 mg/mL was comparable to metformin in increasing glucose uptake in IR-HepG2 cells. KEGG analysis revealed that IR was the top pathway and predicted that FAPAC acts as an insulin-sensitizing agent by inhibiting three main targets: IKBKB, PRKCD, and PTPN1. Consensus docking suggested 7-Omethyl wogonin, ninandrographolide, and 3-O-b-D-glucopyranosyl andrographolide as the potent inhibitors for IKBKB, PRKCD, and PTPN1, respectively. Furthermore, molecular dynamics confirmed that the potential compounds remained in the binding pocket throughout the simulation and had a good affinity toward their respective targets, comparable to native ligands.

Item Type:	Article
Uncontrolled Keywords:	Andrographis paniculata; Anredera cordifolia; extract combination; molecular mechanism; insulin resistance
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Faculty of Pharmacy > Department of Pharmacy
Depositing User:	KRISYANTI BUDIPRAMANA
Date Deposited:	30 Jan 2026 01:07
Last Modified:	30 Jan 2026 01:07
URI:	http://repository.ubaya.ac.id/id/eprint/50215

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