Essential Oil Compounds of Andaliman (Zanthoxylum acanthopodium DC.) Fruit Varieties and Their Utilization as Skin Anti-Aging Using Molecular Docking
Author:
Kintamani Endang12ORCID, Batubara Irmanida34ORCID, Kusmana Cecep1ORCID, Tiryana Tatang5ORCID, Mirmanto Edi2ORCID, Asoka Shadila F.3ORCID
Affiliation:
1. Department of Silviculture, Faculty of Forestry and Environment, IPB University, Bogor 16680, Indonesia 2. Research Center for Ecology and Ethnobiology, National Research and Innovation Agency, Cibinong 16911, Indonesia 3. Department of Chemistry, Faculty of Mathematics and Natural Sciences, IPB Univeristy, Bogor 16680, Indonesia 4. Tropical Biopharmaca Research Center, Institute of Research and Community Servies, IPB University, Bogor 16128, Indonesia 5. Department of Forest Management, Faculty of Forestry and Environment, IPB University, Bogor 16680, Indonesia
Abstract
Exposure to UV/infrared (IR) radiation is the main extrinsic factor that changes skin morphology and affects the increase in reactive oxygen species (ROS) in skin aging. Ten varieties of andaliman (Zanthoxylum acanthopodium DC.) fruit are presumed to have skin anti-aging compounds via an enzyme-inhibition mechanism. This study aims to compare ten essential oils (EOs) of andaliman fruit varieties, group them according to their varieties, and obtain the chemical components that can be used as potential skin anti-aging agents using molecular docking. EOs were isolated by hydrodistillation, and the determination of the chemical compounds was performed using gas chromatography-mass spectrometry (GC-MS). Using the Orange data mining software, a heatmap was used for grouping and showing the abundance of the compounds of ten varieties. Finally, molecular docking was conducted using the software AutoDockTools 1.5.7. There were 97 chemical components in the ten EOs of andaliman fruit varieties, with the main chemical components being geranyl acetate (29.87%) and D-limonene (26.49%), and they were grouped into three clusters. The chemical components that are prospective candidates as skin anti-aging agents are geranyl acetate and D-limonene, found in abundance in the Sihalus variety of andaliman fruit. These can be developed for applications in the pharmaceutical industry.
Subject
Paleontology,Space and Planetary Science,General Biochemistry, Genetics and Molecular Biology,Ecology, Evolution, Behavior and Systematics
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