Current Computer-Aided Drug DesignCurrent Computer-Aided Drug DesignCurrent Computer-Aided Drug Design1573-40991875-6697Bentham Science64403610.2174/1573409919666230418095105ChemistryResearch ArticleInvestigation on the Anticancer Activity of [6]-Gingerol of Zingiber officinale and its Structural Analogs against Skin CancerAdikesavanMonishainfo@benthamscience.netAthirajaPraveenainfo@benthamscience.netDivakarMonishainfo@benthamscience.netDepartment of Biotechnology, Prathyusha Engineering College0104202420436737307012025Copyright ©; 2024, Bentham Science Publishers2024Bentham Science Publishershttps://journals.eco-vector.com/1573-4099/article/view/644036

Introduction:Skin cancer is the most common type of cancer caused by the uncontrolled growth of abnormal cells in the epidermis and the outermost skin layer.

Aim:This study aimed to study the anti-skin cancer potential of [6]-Gingerol and 21 related structural analogs using in vitro and in silico studies.

Method:The ethanolic crude extract of the selected plant was subjected to phytochemical and GC-MS analysis to confirm the presence of the [6]-gingerol. The anticancer activity of the extract was evaluated by MTT (3-[4, 5-dimethylthiazol-2-y]-2, 5-diphenyl tetrazolium bromide) assay using the A431 human skin adenocarcinoma cell line.

Result:The GC-MS analysis confirmed the presence of [6]-Gingerol compound, and its promising cytotoxicity IC50 was found at 81.46 ug/ml in the MTT assay. Furthermore, the in silico studies used [6]-Gingerol and 21 structural analogs collected from the PubChem database to investigate the anticancer potential and drug-likeliness properties. Skin cancer protein, DDX3X, was selected as a target that regulates all stages of RNA metabolism. It was docked with 22 compounds, including [6]-Gingerol and 21 structural analogs. The potent lead molecule was selected based on the lowest binding energy value.

Conclusion:Thus, the [6]-Gingerol and its structure analogs could be used as lead molecules against skin cancer and future drug development process.

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