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All Journal Journal of Multidisciplinary Applied Natural Science
Muhammad Badrul Huda
Department of Chemistry, Universitas Padjadjaran, Jatinangor-45363 (Indonesia); Department of Chemistry, Universitas Diponegoro, Semarang-50275 (Indonesia)
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Environmental Science Immunology & microbiology Materials Science & Nanotechnology Mathematics Physics

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New Limonoid from Chisocheton macrophyllus: Isolation, Synthesis, Molecular Docking Studies, and Cytotoxicity against Cancer Cells Muhammad Badrul Huda; Nurlelasari Nurlelasari; Faris Hermawan; Wahyu Safriansyah; Unang Supratman; Yudha Prawira Budiman
Journal of Multidisciplinary Applied Natural Science Articles in Press
Publisher : Pandawa Institute

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.47352/jmans.2774-3047.471

Abstract

Dysobinin is a naturally occurring limonoid and a type of triterpenoid, which shows certain efficacy, although its prospects in the field of pharmacology are still limited. Therefore, this study aimed to improve the pharmacological properties of dysobinin through structural rearrangement. A 56% yield was obtained using Selectfluor to convert dysobinin into a novel molecule, specifically 22α-carboxyacid-dysobinin (5). Compared to the other compounds, 22α-carboxyacid-dysobinin (5) exhibited significantly higher cytotoxicity against human epithelial tumor (HeLa) and B16-F10 cancer cells. However, this compound 5 exhibited the lowest cytotoxicity against MCF-7 cancer cells. Subsequently, a docking study showed that compound 5 had binding energies of -9.61, -7.81, and -6.08 kcal/mol for EGFR, Bcl-2, and Tyrosinase, respectively. In the prediction of pharmacokinetic parameters, compound 5 fulfilled the minimum standard parameters for the ADMET properties. Therefore, compound 5 may be considered a promising lead compound for anticancer development, warranting further optimization and validation.
Co-Authors Faris Hermawan Nurlelasari Nurlelasari Unang Supratman Wahyu Safriansyah Yudha Prawira Budiman