Cindy Syaharani Ruriasri, 4411418063 (2022) ANALISIS IN SILICO SENYAWA BIOAKTIF DAUN KELOR (Moringa oleifera Lam.) SEBAGAI PREDIKSI ANTIKANKER MELALUI MAMMALIAN TARGET OF RAPAMYCIN PATHWAY. Under Graduates thesis, Universitas Negeri Semarang.

PDF - Published Version Restricted to Repository staff only Download (3MB) | Request a copy

Abstract

Cancer is a group of diseases that show the growth and spread of abnormal cells in the body uncontrolled. Uncontrolled cell proliferation is indicative of cancer, abnormal genes expressed in cancer cells have a direct involvement in regulating the cell cycle. Moringa oleifera Lam. has bioactive compounds that have potential as anticancer, antioxidant, antidiabetic and antimicrobial agents. Moringa oleifera Lam leaf extract. has anticancer and cytotoxic activity and lower toxicity. The purpose of this study was to analyze the potential of Moringa leaf bioactive compounds through screening and molecular docking as anticancer predictions through the Mammalian Target of Rapamycin Pathway. The research method is descriptive exploratory using virtual screening and molecular docking. The results showed that Moringa leaf has 8 bioactive compounds that have the potential as anticarcinogenic, but there are only 3 compounds that have target proteins in the cancer pathway, through the KEGG Mammalian Target of Rapamycin Pathway, which consists of kaempferol, quercetin, and tocopherol. The results of the analysis of each compound through molecular docking showed that the binding affinity value of each compound (kaempferol, quercetin, and tocopherol) did not exceed the binding affinity value of the control drug. The bioactive compounds bound to the target protein AKT1 and IGF1R still have the same amino acid residues as the control, so they can bind to the active site of the target protein, although the resulting bond is not stronger and more stable than the control. In this study, the bioactive compound whose binding affinity was close to the control drug-AKT1 (-10.9 Kcal/mol), namely quercetin (-9.7 Kcal/mol), and whose binding affinity was close to the control drug-IGF1R (- 9.0 Kcal/mol), which is also quercetin (-8.2 Kcal/mol).

Actions (login required)

View Item