Exploration of Volatile Compounds of Microalgae Spirulina platensis as an Inhibitory α-glucosidase Candidate: In Silico Approach: Exploration of Volatile Compounds of Microalgae Spirulina platensis as an Inhibitory α-glucosidase Candidate: In Silico Approach

Himawan Prasetiyo; Azhara Ayu Alifia; Agung Setyo Sasongko

doi:10.21009/JRSKT.092.09

Authors

Himawan Prasetiyo Marine and Fisheries Education, Universitas Pendidikan Indonesia, Jl. Dr. Setiabudhi No. 229, 40154 Bandung, Indonesia
Azhara Ayu Alifia Marine and Fisheries Education, Universitas Pendidikan Indonesia, Jl. Dr. Setiabudhi No. 229, 40154 Bandung, Indonesia
Agung Setyo Sasongko Marine and Fisheries Education, Universitas Pendidikan Indonesia, Jl. Dr. Setiabudhi No. 229, 40154 Bandung, Indonesia

DOI:

https://doi.org/10.21009/JRSKT.092.09

Keywords:

Spirulina platensis, α-glucosidase, molecular docking, in silico, antidiabetic

Abstract

Inhibitors of α-glucosidase are one of the important therapies in controlling diabetes mellitus, a metabolic disease with an increasing global prevalence that requires safer treatment alternatives. This study aims to explore the potential of bioactive compounds from Spirulina platensis as antidiabetic candidates using an in-silico approach. The research methods include analysis of bioactive components through GC-MS, prediction of physicochemical properties, pharmacokinetics, and toxicity (ADME-T), validation of docking methods, and simulation of molecular docking against α-glucosidase enzyme (PDB ID: 2QMJ). The results showed that the ten best compounds met the drug-likeness criteria and had good ADME-T profiles, including 3-Buten-2-one; 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (β-ionone); 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-; (R)- (Dihydroactinidiolide), 3,7,11-Trimethyl-1-dodecanol (Farnesanol); 9-Octadecen-1-ol, (Z)- (Oleyl Alcohol), Cyclohexanol, 2-methyl-5-(1-methylethyl)-; (1. alpha.,2. beta.,5. alpha.)- ((+)-Carvomenthol); Levomenthol, 2-Buten-1-one; 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-(Damascone); 2,2,6,7-Tetramethyl-10-oxatricyclo[4.3.0.1(1. 7)] decan-5-one (Ketalactone); 7-Acetyl-3,3-dimethylbicyclo [4.1.0] heptan-2-one (7-Acetyl-Bicycloheptanone); and Acetic acid,6,6-dimethyl-2-methylene-7-(3-oxobutylidene) oxepan-3-ylmethyl ester (ADM-ester). The docking results show that some compounds have good binding affinity and are able to form stable interactions with active residues of α-glucosidase. Spirulina platensis has potential as a source of natural α-glucosidase inhibitor candidates for antidiabetic therapy.

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