n-Hexane Extract of Leptastrea purpurea: Antioxidant Activity in Vitro and in Silico Tropical Journal of Natural Product Research

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Haryanto Susanto
Nashi Widodo
Masruri Masruri
Siti Mariyah Ulfa
Rollando Rollando

Abstract

Leptastrea purpurea is a species of hard coral with potential bioactive properties. This study aimed to evaluate the antioxidant properties of the n-hexane extract of L. purpurea in vitro and in silico. The in vitro antioxidants activity was assessed by the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging, and ferric reducing antioxidant power (FRAP) assays. The extract was subjected to LC-MS/MS analysis, and three of the compounds identified; arachidonic acid, linolenic acid, and bis(2-ethylhexyl) phthalate were used for the in-silico study through ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) analysis, and molecular docking with antioxidant enzymes; superoxide dismutase (SOD), glutathione peroxidase (GPx), and catalase (CAT). Results showed that n-hexane extract of L. purpurea exhibited weak DPPH radical scavenging activity with IC50 of 189 ppm, and a relatively high ferric reducing antioxidant power with FRAP value of 62.51 ± 3.38 mgAAE/g extract. ADMET analysis showed that the three compounds exhibited good ADMET profile, with arachidonic acid fulfilling the criteria for drug-likeness. Molecular docking studies showed that the three compounds demonstrated strong binding affinity for the proteins superoxide dismutase (SOD), glutathione peroxidase (GPx), and catalase (CAT), with bis(2-ethylhexyl) phthalate exhibiting the highest binding energy of 5.0 and 5.5 kcal/mol for SOD and GPx, respectively, while arachidonic acid exhibited the highest binding energy of 5.7 kcal/mol for CAT. These findings suggest that Leptastrea purpurea possesses bioactive compounds with potential antioxidant activity.

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Susanto, H., Widodo, N., Masruri, M., Ulfa, S. M., & Rollando, R. (2025). n-Hexane Extract of Leptastrea purpurea: Antioxidant Activity in Vitro and in Silico: Tropical Journal of Natural Product Research. Tropical Journal of Natural Product Research (TJNPR), 9(2), 716-727. https://doi.org/10.26538/tjnpr/v9i2.39
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Author Biographies

Haryanto Susanto, Doctoral Student, Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia

Pharmacy Department, Faculty of Health Sciences, Universitas Ma Chung, Malang, Indonesia.

Rollando Rollando, Pharmacy Department, Faculty of Health Sciences, Universitas Ma Chung, Malang, Indonesia.

 

 

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