Efectiveness of Bioactive Coumpound Non-Polar Fraction Of Liverworts (Marchantia palecea Bertol.) as An Inibitor Cell Line Hct-116 Colorectal Cancer: In-Vitro and In-Silico Study

Fadillah, Fadillah (2024) Efectiveness of Bioactive Coumpound Non-Polar Fraction Of Liverworts (Marchantia palecea Bertol.) as An Inibitor Cell Line Hct-116 Colorectal Cancer: In-Vitro and In-Silico Study. S1 thesis, Universitas Andalas.

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Abstract

Colorectal cancer (CRC) is a malignant tumor that can result from a high-fat diet that triggers inflammation triggered by Cyclooxygenases-2 (COX-2). COX-2 activation enhances the proliferation of cells and inhibits apoptosis, leading to CRC progression. Liverwort is rich in phenolic compounds, triterpenoids, and flavonoids and has the potential as an anticancer by inhibiting COX-2 activity. This study aims to analyze how the bonds and interactions that may occur between bioactive compounds of non-polar fractions of liverwort (Marchantia paleacea Bertol.) inhibit COX-2 as protein target in-silico and analyze cytotoxic activity against HCT-116 cell line colorectal cancer. The study used LCMS analysis of the non-polar fraction of liverwort and bioinformatics analysis such as Lipinski filter analysis, ADME, toxicity prediction, and molecular docking studies using MOE software. Cytotoxicity test was conducted using (MTT) assay against HCT-116 colorectal cancer cells at various extract concentrations. The results obtained were 21 bioactive compounds identified in the non-polar fraction of liverwort, and 13 bioactive compounds had anticancer activity and fulfilled the Lipinski rule. ADME prediction results show that nobiletin compounds act as CYP3A4 substrates and have safe toxicity. Molecular docking results against COX-2 protein obtained nobiletin compound with docking score -7.5627 kcal/mol. Cytotoxic activity against the HCT-116 colorectal cancer cell line with an IC50 value of 24.65 µg/ml was classified as active cytotoxic. Bioactive compounds in non-polar fractions of liverwort (Marchantia paleacea Bertol.) can potentially cause colorectal cancer.

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