UJI IN SILICO AKTIVITAS ANTIKANKER SENYAWA PADA TANAMAN SANREGO MELALUI PENGHAMBATAN EGFR

(Epidermal Growth Factor Receptor)

Abstrak

Cancers are disorders that cause cells to divide uncontrollably and spread to surrounding tissues. EGFR (Epidermal enhancement aspect receptor) is one of the target proteins in cancer therapy. EGFR plays a role in regulating epithelial tissue repair and homeostasis which, if overexpressed, can result in cancer. Compounds in the sanrego plant (Lunasia amara) are thought to have active compounds that play a role in inhibiting cancer activity. The purpose of the research was to test compounds in the sanrego plant (Lunasia amara) to inhibit EGFR activity (6V6O). On this observation, the physicochemical properties were checked according to the SwissADME five Lipinski rules of use. Compounds following lima lipinski guidelines were then subjected to molecular docking and molecular dynamics simulation. It was found that the binding affinity of lunamarine and lunine compounds with the EGFR receptor (6v6o) has a higher cost compared to the other test compounds, although it has a lower value than the control ligand (imidazole). The effects of molecular dynamics simulations show that lunin has the most stable formation compared to other sanrego compounds in the hydrated state.