Unveiling the Anticancer Efficacy of Kaempferol from Moringa oleifera Against Breast Cancer: Insights from an In Silico Investigation

Maharani Retna Duhita, Vina Virlana Azhar

Abstract

Breast cancer is a significant global health problem that is often encountered in women. Kaempferol from Moringa are known to control breast cancer cells. This study explores the potential of kaempferol compounds derived from the Moringa oleifera plant as a breast anticancer drug candidate in silico. The results showed that kaempferol compounds have anticarcinogenic potential with a high Pa value of 0.715 through target proteins CYP1B1 and HSD17B2. The prediction of physicochemical properties indicates that kaempferol is a viable oral medication candidate, as it adheres to Lipinski's rule of five. However, it is dangerous if swallowed because it is classified as toxicity class 5. Through molecular docking analysis, kaempferol shows high affinity to the target proteins CYP1B1 and HSD17B2, can significantly contribute to the progression of breast cancer, with binding energy values of -7.1 kcal/mol and -6.8 kcal/mol, respectively. Hydrogen bonds and hydrophobic interactions predominated the molecular interactions between kaempferol and the target proteins. These findings suggest that kaempferol from Moringa oleifera is a promising lead compound for the development of breast cancer treatments. Despite its potential, further studies are required to mitigate its toxicity risks, as indicated by the pharmacokinetics, drug-likeness, and toxicity assessments.

Keywords

Breast cancer; Kaempferol; Moringa oleifera

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DOI: https://doi.org/10.20961/jpscr.v11i1.94156

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