Analisis In Silico Kandungan Senyawa Kimia Terpilih Daun Jeruju (Acanthus ilicifolius Linn.) terhadap Transporter Pompa Proton sebagai Anti Tukak Lambung

Abstract

Background: Gastric ulcer is one of the diseases of the digestive tract with a high prevalence. One of the plants that has the potential as an anti-ulcer is jeruju leaves (Acanthus ilicifolius Linn.). In silico is a research method in the field of biology that is carried out using computer software and devices to analyze chemical compounds against the target receptor under study. Objective: To determine whether the content of selected chemical compounds of jeruju leaves meets the parameters of Lipinski's rule of five and is able to be tethered to the proton pump transporter in silico so that it has potential as an antiulcer candidate. Method: Prediction of biological activity using PASS online, Lipinski's rule of five test using SwissADME, ligand and receptor preparation using Discovery Studio Visualizer, ligand and receptor optimization using AutoDock Tools 1.5.7, molecular docking with AutoDock Vina, validation and visualization using Discovery Studio Visualizer. The proton pump receptor was downloaded from the Protein Data Bank (PDB) with code 5YLV. The two and three dimensional models were downloaded using the PubChem website. Molecular docking parameters were assessed based on the docking score. Results: The content of selected chemical compounds of jeruju leaves meets the parameters of Lipinski's rule of five and is able to be tethered to the proton pump transporter in silico as an anti-ulcer candidate. Conclusion: The content of selected chemical compounds of jeruju leaves can be tethered to the proton pump transporter in silico so that it has potential as an antiulcer candidate.