ADMET Prediction of the Dominant Compound from Mangosteen (Garcinia mangostana L.) using pkCSM: A Computational Approach

Faisal Akhmal Muslikh; Evi  Kurniawati; Burhan  Ma'arif; Syendriva Zeptyan  Zenmas; Novyananda  Salmasfattah; Anis Akhwan Dhafin; Fendy Prasetyawan

doi:10.55927/ijcs.v1i1.7271

Authors

Faisal Akhmal Muslikh Institut Ilmu Kesehatan Bhakti Wiyata
Evi Kurniawati Institut Ilmu Kesehatan Bhakti Wiyata
Burhan Ma'arif Universitas Islam Negeri Maulana Malik Ibrahim
Syendriva Zeptyan Zenmas Institut Ilmu Kesehatan Bhakti Wiyata
Novyananda Salmasfattah Institut Teknologi Sains dan Kesehatan RS.DR. Soepraoen Kesdam V/BRW
Anis Akhwan Dhafin Universitas Kadiri
Fendy Prasetyawan Universitas Kadiri

DOI:

https://doi.org/10.55927/ijcs.v1i1.7271

Keywords:

α-mangostin; ADMET Prediction; Garcinia mangostana L.; pkCSM

Abstract

Mangosteen (Garcinia mangostana L.) is a plant belonging to the Guttiferae family with origins in Southeast Asia. The primary components in mangosteen peel consist of xanthones, particularly α-mangostin, which displays diverse pharmacological effects such as anti-diabetic properties, antioxidant activity, and anti-inflammatory effects. However, due to the insufficient information regarding studies on pharmacokinetics (administration, distribution, metabolism, excretion, and toxicity), the objective of this investigation is to explore pharmacokinetic predictions utilizing the pkCSM web tool. The α-mangostin compound, acquired from PubChem accessible at https://pubchem.ncbi.nlm.nih.gov/, underwent pharmacokinetic analysis using the web tool available at https://biosig.lab.uq.edu.au/pkcsm/prediction. The study findings revealed that the α-mangostin compound, subjected to pharmacokinetic analysis with pkCSM, exhibited limited distribution capability.

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