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All Journal JURNAL KIMIA SAINS DAN APLIKASI
Bayu Fajriansyah Al-Khairi
Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University, Jl. Prof. Soedarto, SH., Tembalang, Semarang|Diponegoro University|Indonesia
Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering

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An Investigation into the Anti-Aggregation Potential of Swietenia macrophylla Triterpenoid on Bovine Serum Albumin: Docking and RMSF Bayu Fajriansyah Al-Khairi; Mukhammad Asy'ari; Agustina L. N. Aminin
Jurnal Kimia Sains dan Aplikasi Vol 27, No 12 (2024): Volume 27 Issue 12 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.12.560-568

Abstract

Protein aggregation, caused by environmental factors, can lead to neurodegenerative diseases. Hydrophobic compounds like latrepirdine are used in medical treatments like anti-Parkinson’s and Huntington’s diseases. Swietenia macrophylla contains abundant hydrophobic compounds from the triterpenoid group, but their anti-aggregation potential has not been reported. This study investigates the hydrophobic interactions and anti-aggregation potential of triterpenoid compounds, including swietenine, swietenolide, khayasin T, beta-sitosterol, and stigmasterol, against bovine serum albumin (BSA). Latrepirdine is employed as the control compound. In silico methods, molecular docking and molecular dynamics showed potential in clusters 1 and 2, with swietenine having a more stable RMSF value than latrepirdine. The study found four clusters with all ligands, with cluster 1 being the earliest protein opening area. Mahogany seed triterpenoid compounds have potential in cluster 1 (51-67%), while cluster 2 has 37-46%. In cluster 2, they have an advantage over latrepirdine (2%). Stigmasterol and beta-sitosterol are spread across the clusters. The swietenine compound has a more stable RMSF value than latrepirdine. This suggests that mahogany seed triterpenoid compounds have potential as anti-aggregation agents.
Co-Authors Agustina L. N. Aminin Mukhammad Asy'ari