ANALISIS SENYAWA BIOACTIVE FRAKSI AIR EKSTRAK ETANOL 70% BATANG BAJAKAH TAMPALA (Spatholobus littoralis (Hassk.)) SEBAGAI ANTIKANKER PAYUDARA SECARA IN SILICO

Abstract

ABSTRACT ANALYSIS OF BIOACTIVE COMPOUNDS OF 70% ETHANOL EXTRACT OF BAJAKAH TAMPALA STEM (Spatholobus littoralis (Hassk.)) AS ANTI-CANCER BREAST IN SILICO Kamalia1 , Tedi Rustandi2 , Riza Alfian3 Bajakah tampala is widely believed to have breast cancer-fighting properties due to its high antioxidant activity. This study aims to investigate the breast cancer activity of the bioactive compounds and predict the binding between the bioactive compounds from bajakah tampala stems and the target receptor STAT3, which plays a role in breast cancer. This study uses an in silico method with a molecular docking approach. The research population consists of bajakah stems from Balangan Regency, South Kalimantan, which were extracted using 70% ethanol as the solvent. The research samples are the bioactive compounds from the aqueous fraction of the 70% ethanol extract of bajakah tampala stems. The bioactive compounds contained in the aqueous fraction of the 70% ethanol extract from bajakah tampala stems are analyzed using Way2Drug for activity prediction, and molecular docking with PyMol, PyRx, and Biovia Drug Discovery. The research results identified 19 bioactive compounds with anticancer activity against breast cancer, based on in vitro analysis using Way2Drug. From these 19 bioactive compounds found in the stem of Bajakah Tampala, 11 compounds were identified with binding affinity values. Among them, two compounds exhibited the highest binding affinity, namely 1-(5-Acetyl-2- hydroxyphenyl)-3-methyl-1-butanone with a binding affinity of -6.4 kcal/mol, and Salidroside with a binding affinity of -6.4 kcal/mol. Meanwhile, the compound with the lowest binding affinity was Hexadecanamide, with a value of -3.6 kcal/mol. The conclusion of this study is that the bioactive compounds from the aqueous fraction of 70% ethanol extract of bajakah tampala stems contain 19 compounds with breast cancer activity. The binding prediction results of the bioactive compounds to the STAT3 protein showed that 1-(5-Acetyl-2- hydroxyphenyl)-3-methyl-1-butanone and salidroside had the highest affinity values of -6.4 kcal/mol, while the bioactive compound hexadecanamide had the lowest affinity value of -3.6 kcal/mol.