Jurnal Farmamedika (Pharmamedica Journal)
Vol 8 No 2 (2023): Jurnal Farmamedika (Pharmamedica Journal)

INHIBISI EKSTRAK DAUN SIRIH MERAH TERHADAP LIPASE PANKREAS SEBAGAI ANTIOBESITAS SECARA IN SILICO

Mega Safithri (Institut Pertanian Bogor)
Nur Azizah (Institut Pertanian Bogor)
Maria Bintang (Institut Pertanian Bogor)
Rini Kurniasih (Institut Pertanian Bogor)



Article Info

Publish Date
01 Dec 2023

Abstract

A Obesity triggers the emergence of various degenerative diseases, such as stroke, heart disease, type 2 diabetes, and insulin resistance. Pancreatic lipase inhibitors are anti-obesity drug agents that work by inhibiting pancreatic lipase enzymes. This study aims to search and predict the inhibitory activity of pancreatic lipase from the active compound of red betel leaf. The research began with virtual screening of 60 test ligands, prediction of ligand stability and toxicity, validation method of molecular docking, molecular docking, 2D and 3D visualization. The results showed that benzethonium octyloxyacetate, salicylic acid beta-D-glucopyranosyl ester, and anthocyanins had the best potential in inhibiting pancreatic lipase enzymes based on virtual screening, ligand stability, ligand toxicity, energy affinity, number of hydrogen bonds with active site, bond distance, and constants inhibition (Ki). Benzethonium octyloxyacetate has an affinity value of -8 kcal/mol, has a hydrogen bond interaction on the His349 residue on the active site of the pancreatic lipase receptor (6KSM) with a bond distance of 2,94 Å and Ki value of 1,347 μM.

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Journal Info

Abbrev

farmamedika

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Immunology & microbiology Medicine & Pharmacology

Description

Jurnal Farmamedika dikelola oleh Lembag Penelitian dan Pengabdian Masyarakat, Sekolah Tinggi Teknologi Industri dan Farmasi Bogor. Frekuensi penerbitan jurnal sebanyak 2 kali dalam satu tahun pada bulan Juni dan Desember. Kategori tulisan berupa hasil penelitian dari peneliti maupun akademisi dalam ...