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IN SILICO PHARMACOKINETIC AND MOLECULAR DOCKING STUDY OF VOLATILE COMPOUNDS FROM Parachlorella kessleri AUP5 AS POTENTIAL α-AMYLASE INHIBITORS Arif Juliari Kusnanda; Fajri Ikhsan; Dede Rahman Agustian; Syafrizayanti Syafrizayanti; Afrizal Afrizal; Armaini Armaini; Rahmi Sukratilla; Rindi Antika
AL-ULUM: JURNAL SAINS DAN TEKNOLOGI Vol 12 No 2 (2026)
Publisher : UPT Publication and Journal Management, Islamic University of Kalimantan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31602/jst.v12i2.23138

Abstract

Diabetes mellitus (DM) is a chronic metabolic disorder with a rapidly increasing global prevalence. The purpose of this study was to determine the potential of volatile compounds from microalgae Parachlorella kessleri AUP5 as potential α-amylase inhibitors through in silico approach. Analysis of the similarity of the drug was carried out with the Swiss ADME on the basis of Lipinski rule of five. Molecular screening was performed using Molecular Operating Environment (MOE). The volatile compounds with the highest inhibitor potential toward α-amylase is 9,12-octadecadienoic acid with a docking score of −6.215 kcal/mol. The compound interacted with key amino acid residues such as Ala198, His201, Ile235 and Asp195 at the enzyme binding site. The results indicated that 9,12-octadecadienoic acid from Parachlorella kessleri AUP5 has the greatest potential as a potential α-amylase inhibitors. However, more research is required to validate the results of these computational predictions.
Co-Authors Abdi Dharma Afriyanti Azhar Afrizal Afrizal Arif Juliari Kusnanda Dede Rahman Agustian Fajri Ikhsan Indriani Sahira Jamsari Jamsari Nasril Nasir Nessa Satya Wati Netti Suharti Nurul Haviza Rahmi Sukratilla Rahmiana Zein Rindi Antika Riska Hernandi Siti Hajir Sumaryati Syukur Syafriza Yanti Syafrizayanti Syafrizayanti Syafrizayanti, Syafrizayanti Tedy Alfajri Tio Putra Wendari Upita Septiani Yetria Rilda Zulkarnain Chaidir