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All Journal Jurnal Bioteknologi & Biosains Indonesia (JBBI) Jurnal Bioteknologi & Biosains Indonesia
Aulia Nanda, Taurisma
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Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Environmental Science Health Professions

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UNVEILING THE ANTIDIABETIC POTENTIAL OF KEMUNING LEAVES (Murraya paniculata L. Jack): AN IN-SILICO EXPLORATION OF DPP-4 INHIBITORY ACTIVITY Ladika Wiratama, Arif; Aulia Nanda, Taurisma; Hidayah, Farsya; Weningtyas, Anditri
Jurnal Bioteknologi & Biosains Indonesia (JBBI) Vol. 12 No. 2 (2025)
Publisher : BRIN - Badan Riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55981/jbbi.2025.12920

Abstract

Type 2 diabetes mellitus is a global health issue associated with insulin resistance and impaired glucose metabolism. Murraya paniculata L. Jack (kemuning) has shown antidiabetic potential, yet its role as a DPP-4 inhibitor remains underexplored. This study aimed to investigate the potential of kemuning leaf bioactive compounds as natural DPP-4 inhibitors through an in-silico approach. Compound structures were obtained from the PubChem database and analyzed using AutoDock Vina for molecular docking against the DPP-4 protein. Pharmacokinetic properties, toxicity, and drug-likeness were evaluated using pkCSM and SwissADME, while complex stability was assessed through molecular dynamics simulation (RMSF). The results showed that most compounds demonstrated favorable binding affinities (−6.8 to −7.9 kcal/mol), along with acceptable pharmacokinetic and toxicity profiles. Among the tested compounds, 1-aminoindan-1,5-dicarboxylic acid emerged as the most promising candidate for natural DPP-4 inhibition.
UNVEILING THE ANTIDIABETIC POTENTIAL OF KEMUNING LEAVES (Murraya paniculata L. Jack): AN IN-SILICO EXPLORATION OF DPP-4 INHIBITORY ACTIVITY Ladika Wiratama, Arif; Aulia Nanda, Taurisma; Hidayah, Farsya; Weningtyas, Anditri
Jurnal Bioteknologi & Biosains Indonesia (JBBI) Vol. 12 No. 2 (2025)
Publisher : BRIN - Badan Riset dan Inovasi Nasional

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55981/jbbi.2025.12920

Abstract

Type 2 diabetes mellitus is a global health issue associated with insulin resistance and impaired glucose metabolism. Murraya paniculata L. Jack (kemuning) has shown antidiabetic potential, yet its role as a DPP-4 inhibitor remains underexplored. This study aimed to investigate the potential of kemuning leaf bioactive compounds as natural DPP-4 inhibitors through an in-silico approach. Compound structures were obtained from the PubChem database and analyzed using AutoDock Vina for molecular docking against the DPP-4 protein. Pharmacokinetic properties, toxicity, and drug-likeness were evaluated using pkCSM and SwissADME, while complex stability was assessed through molecular dynamics simulation (RMSF). The results showed that most compounds demonstrated favorable binding affinities (−6.8 to −7.9 kcal/mol), along with acceptable pharmacokinetic and toxicity profiles. Among the tested compounds, 1-aminoindan-1,5-dicarboxylic acid emerged as the most promising candidate for natural DPP-4 inhibition.
Co-Authors Anditri Weningtyas Hidayah, Farsya Ladika Wiratama, Arif