Abstract
There is always a constant need to develop alternative or synergistic anticancer drugs with minimal side effects. One important strategy to develop effective anticancer agents is to investigate potent derived compounds from natural sources. The present study was designed to determine antiproliferative activity of Kaempferol using in silico as well as in vitro study. Docking was performed using human GCN5 (hGCN5) protein involved with cell cycle, apoptosis, and glucose metabolism. Cell viability and cytotoxicity on Daudi cells were evaluated by trypan blue and 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assays in a dose and time dependent manner, respectively. The compound inhibited the proliferation and growth of the Daudi cells, through induced cell death. The pure compound proved lead inhibitors of cell proliferation, thus manifesting significant antiproliferative activity. The docking results revealed that Kaempferol exhibited binding interaction to hGCN5 protein. Further, molecular dynamics using the dock pose of hGCN5-Kaempferol complex were performed to understand the basic structural unit which lead to inefficiency in binding and, therefore, pronounced instability and its possible consequences of reduced binding affinity. The data obtained in this study indicates that Kaempferol is a promising compound leading to inhibition of Daudi cell growth and proliferation.
Highlights
Cancer, called malignant tumor or malignant neoplasm, is characterized by uncontrolled proliferation of the cells with the potential to invade or spread to other parts of the body [1, 2]
We have explored molecular interaction of Kaempferol into human GCN5 (hGCN5) by molecular docking as well as molecular dynamics simulation and assayed the cytotoxic activity of Kaempferol on Daudi lymphoma cells by MTT method
The cell viability assay conducted by trypan blue dye exclusion method showed that there was a highly significant (p < 0.001) decrease in viability with an increase in time and concentration in compound treated Daudi cells as compared to untreated controlled cells (Figure 1)
Summary
Called malignant tumor or malignant neoplasm, is characterized by uncontrolled proliferation of the cells with the potential to invade or spread to other parts of the body [1, 2]. The continuous multiplication of cancer cells spreads into tumor and travels through the circulatory system to other organs of the body resulting in metastasis. The uncontrolled growth of damaged cells is restricted by apoptosis. These cells can escape the regulatory mechanisms of apoptosis as a result of secondary mutations in genes that regulate apoptosis. Cancer chemoprevention is defined as pharmacological interference with synthetic or naturally occurring compounds that may prevent, inhibit, or reverse carcinogenesis or prevent development of invasive cancer
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