Journal of Multidisciplinary Applied Natural Science
an Open Access Journal
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2.1
Calculated on 05 May, 2025
SJR 2025
0.25
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an Open Access Journal
2.1
Calculated on 05 May, 2025
0.25
Powered by scimagojr.com
https://doi.org/10.47352/jmans.2774-3047.471
Muhammad Badrul Huda
Nurlelasari Nurlelasari
Faris Hermawan
Wahyu Safriansyah
Unang Supratman
Yudha Prawira Budiman
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.
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