In Silico Study of Kaempferol Compounds in Herbs as Candidates Anti-Breast Cancer

Abstract

Breast cancer is a genetic disease, resulting from the accumulation of genetic disorders in the tissue. Kaempferol and its glycosylated derivatives have been shown to have cardioprotective, neuroprotective, anti-inflammatory, antidiabetic, antioxidant, antimicrobial, antitumor, and anticancer activities. This study aims to anchor the molecule of a flavonoid derived compound, namely kaempferol, to search for candidates for raw materials for anticancer drugs in silico. The methods used are Lipinski's Rule of Five screening, pharmacokinetics and molecular anchoring. The results showed that
kaempferol had the ability as a protein inhibitor of the EGFR receptor in the presence of hydrogen bonds with amino acid residues. The result shows that the RMSD value of the native ligand is 1.05 Å, which means that the molecular docking method can be accepted or validated. The test ligand kaempferol has hydrogen bonds to the amino acid residues of the CDK2 protein.