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

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)

International Journal of Contemporary Sciences (IJCS)
Vol. 1 No. 1 (2023): November 2023

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.