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All Journal International Journal of Public Health Science (IJPHS) Jurnal Sain Veteriner Pharmaciana: Jurnal Kefarmasian Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) Pharmacon Farmasains : Jurnal Ilmiah Ilmu Kefarmasian WIDYA LAKSANA
Wahyu Widyaningsih
Universitas Ahmad Dahlan
Chemistry Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Veterinary Other

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Journal : Pharmacon

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Studi Docking Molekular Aktivitas Panghambatan Enzim Tirosinase Ubi Jalar (Ipomoea batatas L. Lam) Dwi Utami; Ryan Syahputra; Wahyu Widyaningsih
Pharmacon: Jurnal Farmasi Indonesia Vol 19, No 1 (2022)
Publisher : Universitas Muhammadiyah Surakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.23917/pharmacon.v19i1.18295

Abstract

Sweet potato (Ipomoea batatas L. Lam) is a plant source of carbohydrates with chemical content of catechins, quercetin, asam klorogenat, anthocyanins, beta-carotene. These phytochemical compounds have been shown to have antioxidant activity that is closely related to tyrosinase through the oxidative stress pathway. The purpose of this study was to develop sweet potato plants as anti-tyrosinase candidates for cosmetic preparations by molecular docking of these 4 compounds to tyrosinase protein (pdb:2Y9X) with kojic acid control. The research was done in 4 stages : (1) Preparation of proteins (receptors) and ligands with Biovia Discovery Studio (2) Optimization of geometry with Avogadro and Chem 3D (3) Validation of docking and molecular docking methods for proteins (2Y9X) with Autodock-4 (5) and (4) ADMET study with pkCSM and SwissADME websites. The test results obtained the highest affinity for 3 active compounds, namely beta-carotene with (ΔG) -6.05 kcal/mol (IC) 36.72 M and quercetin has (ΔG) -5.87 kcal/mol (IC) 45.30 M . While the control kojic acid has a lower affinity of (ΔG) -5.27 kcal/mol (IC) 380.37 M. ADMET predictions provide information that the four active compounds Ipomoea batatas L. Lam meet the requirements to be developed as natural tyrosinase inhibitors based on lipophilicity (logP), topology polar surface area (TPSA), skin permeability, skin sensitivity, logKP, CYP1A2 inhibitor, lipinski rule. and bioavailability. The molecular docking study and ADMET prediction indicate that the active compound of sweet potato (Ipomoea batatas L. Lam) has the potential to be developed as a natural cosmetic ingredient.
Co-Authors Anggita Devi Anita Wening Sejati Ayu Wulandari Dandy Annas Muttaqien Daru Estiningsih Dwi Utami Galuh Rista Putri Hari Susanti Iis Wahyuningsih Intan Dwi Rahmita Moch. Saiful Bachri Mochammad Saiful Bachri Nadia Selvia Nina Salamah Rifka Salsabila Ryan Syahputra Sapto Yuliani Sapto Yuliani Sitarina Widyarini Sofina Rahmadita Sugiyanto Sugiyanto Suwidjiyo Pramono Vivi Sofia Wiki Yuli Anita Zahra Alya Putri