Rima Hayati, Endang Lukitaningsih, Nanda Earlia, Mohamed El-Shazly, Rinaldi Idroes
Simplah (SM) and pliek (PL) oils are derived from the traditional fermentation process of coconut meat, a practice in Aceh, Indonesia, for generations. We studied their chemical composition and interactions with proteins linked to atopic dermatitis (AD), causing inflammation and allergies. Gas chromatography-mass spectrometry (GC-MS) analysis of SM and PL from five coconut plantations in Aceh revealed 53 compounds with a similarity index (SI) ≥ 800. Peroxide and iodine values met standards, but moisture and free fatty acid content were slightly high. Phenolic and flavonoid content are correlated with antioxidant activity. Molecular docking showed l-(+)-ascorbic acid 2,6-dihexadecanoate (PN32) had high binding affinity to IL2 (-8.2801 kcal/mol), JNK1 (-9.5087 kcal/mol), TNF-α (-7.1581 kcal/mol), and ERK2 (-7.9420 kcal/mol). PN32 had significant inhibitory activity against JNK1 but lower stability than the control native ligand (CNL). It can be stated that SM and PL have potential as topical anti-inflammatory and immunosuppressive agents in AD. © 2025 Informa UK Limited, trading as Taylor & Francis Group.
Graduate School of Mathematics and Applied Sciences, Universitas Syiah Kuala, Banda Aceh, Indonesia; Department of Pharmacy, Poltekkes Kemenkes Aceh, Aceh Besar, Indonesia; Department of Pharmacy, Universitas Gadjah Mada, Yogyakarta, Indonesia; Department of Dermatology and Venereology, Universitas Syiah Kuala, Banda Aceh, Indonesia; Department of Pharmacognosy, Ain-Shams University, Cairo, Egypt; Department of Chemistry, Universitas Syiah Kuala, Banda Aceh, Indonesia; Department of Pharmacy, Syiah Kuala University, Banda Aceh, Indonesia
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