In Silico Docking of Phaleria Macrocarpa Bark Compounds Through Inflammation Pathway and its Cytotoxic Activities Against HCT116 Cell Line

Abstract

Phaleria macrocarpa (Scheff.) Boerl or Mahkota dewa in Indonesia language, a Thymelaeaceae, is widely found in Indonesia, that treat various diseases with satisfactory results. This work reports the results of in silico molecular docking of Phaleria macrocarpa bark compounds through inflammation pathway, because inflammation causes a signaling towards growth and proliferation colon cancer cell, and also testing the cytotoxic activity against HCT116 cell line. Five compounds of bark part of Phaleria macrocarpa were docked against eight inflammation protein. Bark powder of Phaleria macrocarpa was macerated in ethanol for three days, and were concentrated become bark extract. The bark extract then evaluated for cytotoxic activity on HCT116 cell line using MTT method. From the docking result, it showed that the compounds have low Gibbs energy (ΔG) in all inflammation protein. So, the compounds could inhibit the inflammation that causes a signaling towards growth and proliferation colon cancer cell. The bark extract had good IC 50 value compared with Cisplatin as positive control. IC 50 value of bark extract is 20.51 µg/ml. The bark extract of Phaleria macrocarpa is a potential compound to inhibit growth of HCT116 cell line.