STUDI BIOINFORMATIKA SENYAWA AKTIF DAN PENGHAMBATAN MIGRASI SEL KANKER PARU HTB-179 DENGAN FRAKSI ETIL ASETAT BIJI MELINJO (GNETUM GNEMON L.) SECARA IN VITRO DAN IN SILICO

The incidence of lung cancer in Indonesia in 2020 reached 34,783 cases. Treatment of lung cancer with chemotherapy has not been selected so that it causes damage to normal cells and side effects in cancer patients. In previous studies, it was known that melinjo had cytotoxic activity on several cancer cells. Melinjo contains ursolic acid, which can suppress cell proliferation, and polydatin, which induces cell apoptosis. This study aims to determine the potential of the ethyl acetate fraction of melinjo seeds (Gnetum Gnemon L.) as an anticancer agent in lung cancer in vitro and silico. Extraction was carried out on melinjo seeds by maceration method using 70% ethanol and fractionated with ethyl acetate to obtain Melinjo Seed Ethyl Acetate Fraction (MSEAF). Identification of ursolic acid and polydatin compounds in MSEAF through HPLC method followed by in silico test using bioinformatics method to determine target protein. Docking was then carried out between ursolic acid and polydatin compounds with each target protein to determine the binding affinity using carboplatin as a comparison. In vitro test was carried out using the MTT assay method to determine the cytotoxic activity of MSEAF and continued with cell migration inhibition test using the scratch wound healing assay method. The results obtained indicate that MSEAF is thought to contain ursolic acid and polydatin with retention times of 12.475 minutes and 16.564 minutes, respectively. Ursolic acid target proteins were TP53 and AKT1 with docking scores of -6.3 kcal/mol and -7.4 kcal/mol, while polydatin target proteins were GAPDH and VEGFA with docking scores of -8.8 kcal/mol and -5.5 kcal/mole. As a comparison, carboplatin was docked with TP53, AKT1, GAPDH, and VEGFA. The binding of ursolic acid and polydatin to the target protein is stronger and more stable than carboplatin. The results of the MSEAF cytotoxic test against HTB-179 showed an IC50 value of 35.539 g/mL in the toxic category and an IC50 value of carboplatin 216.985 g/mL, which was categorized as moderately toxic. In the cell migration assay, MSEAF was able to inhibit the migration of HTB-179 cells by slowing the migration rate.