Jurnal Bioteknologi & Biosains Indonesia (JBBI)
Vol. 13 No. 1 (2026)

IN SILICO MOLECULAR TARGETING AND ADMET PROFILING OF BETA-SITOSTEROL AS A MULTI-TARGET THERAPEUTIC CANDIDATE

Fendy Prasetyawan (Universitas Kadiri)
Yuneka Saristiana (Universitas Kadiri)
Lisa Savitri (Universitas Kadiri)



Article Info

Publish Date
11 Jun 2026

Abstract

Beta-sitosterol is a naturally occurring phytosterol with potential biological activities, including anticancer effects. This study aimed to evaluate the pharmacokinetic characteristics and molecular targets of beta-sitosterol using in silico approaches involving ADMET analysis and target prediction. The ADMET results indicated that beta-sitosterol exhibited favorable membrane permeability and high absorption potential; however, it demonstrated poor aqueous solubility and high plasma protein binding, which may affect its bioavailability. Additionally, metabolic prediction suggested potential involvement of cytochrome P450 enzymes in beta-sitosterol biotransformation. Target prediction analysis revealed that beta-sitosterol may interact with multiple proteins involved in lipid metabolism and hormonal regulation. The highest predicted affinity was observed toward NPC1L1, a protein involved in cholesterol absorption, as well as nuclear receptors including LXR-α, ROR-γ, and androgen receptor, which regulate lipid metabolism and hormone signaling. Furthermore, beta-sitosterol was predicted to interact with HMG-CoA reductase and several cytochrome P450 isoforms involved in cholesterol biosynthesis and steroidogenesis. The findings suggest that beta-sitosterol possesses a multi-target profile associated with lipid metabolism and hormonal regulation pathways.

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Journal Info

Abbrev

JBBI

Publisher

Subject

Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Environmental Science Health Professions

Description

JBBI is published twice annually and provide scientific publication medium for researchers, engineers, practitioners, academicians, and observers in the field related to biotechnology and bioscience. This journal accepts original research papers, review articles, case studies, and short ...