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NETWORK PHARMACOLOGY DAN MOLECULAR DOCKING EKSTRAK DAUN PELAWAN (Tristaniopsis merguensis Griff.) DALAM MEMPREDIKSI AGEN ANTIHIPERKOLESTEROLEMIA

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Cases of hypercholesterolemia continue to increase every year and have become one of the major risk factors for cardiovascular disease. Modern antihypercholesterolemic drugs, such as statins, often cause adverse side effects rhabdomyolysis, creating the need for safer therapeutic alternatives. Pelawan leaves (Tristaniopsis merguensis) are a natural ingredient containing various bioactive compounds, including flavonoids and terpenoids, which have potential as antihypercholesterolemic agents. This study aims to explore the bioactive compounds of Pelawan leaves as candidate therapies for hyperlipidemia using a network pharmacology and molecular docking approach. Compound identification was carried out using phytochemical databases and scientific literature. Drug-likeness evaluation was conducted using SwissADME, while toxicity prediction was performed using pkCSM. Prediction of target proteins associated with hypercholesterolemia was conducted using SwissTargetPrediction and GeneCards. Compound–protein and protein–protein interaction analyses were performed using Cytoscape, STRING, and STITCH. Molecular docking simulations were executed using Autodock Vina to validate the affinity of compounds toward the main targets. Network pharmacology analysis identified several key protein targets, including HMGCR, FASN, and CETP, along with several potential active compounds present in Pelawan leaves. Based on molecular docking results, oleanolic acid exhibited a stronger binding affinity with a value of −9.942 kkal/mol compared to simvastatin, which showed only −8.274 kkal/mol. These findings confirm that pelawan leaves possess significant potential as candidate therapeutic agents for hyperlipidemia through multitarget and multipathway mechanisms. This study provides a scientific foundation for further experimental investigations, both in vitro and in vivo. Keyword(s): Autodock Vina, hyperlipidemia, lipid metabolism, molecular docking, pelawan leaves

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Detail Information

Series Title

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Call Number

T1935962026

Publisher

Indralaya : Prodi Ilmu Farmasi, Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Sriwijaya., 2026

Collation

xix 172 hlm.; ilus.; 29 cm

Language

Indonesia

ISBN/ISSN

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Classification

615.321 07

Content Type

Text

Media Type

unmediated

Carrier Type

-

Edition

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Subject(s)

Prodi Ilmu Farmasi
Kimia - Laju Reaksi - Studi dan Pengajaran

Specific Detail Info

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Statement of Responsibility

KA

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