NATURAL BIOACTIVE COMPOUND FROM MORINGA OLEIFERAAGAINST CANCER BASED ON IN SILICO SCREENING
DOI:
https://doi.org/10.11113/jt.v78.8328Keywords:
Glycosiltransferase, Moringa oleifera, niazimicin, reverse dockingAbstract
Cancer is the leading cause of death in the world. More than 10 million people worldwide are expected to be diagnosed with cancer, a disease commonly believed to be preventable. Moringa oleifera is one of the well known as a local plant as food and health plant in Indonesia. Anticancer is one of potential treatment found in Moringa oleifera seed, leaves, and pods extracts. This study aimed to discover natural bioactivity compound from Moringa oleifera for anticancer. Niazimicin is one of bioactive compound found in Moringa oleifera reported have potent antitumor promoting activity. The bioinformatics tool used in this study were: Pubchem compound database, protein target prediction database Pharmmapper and Chemmapper, molecular docking software PyRx 0,8, ligand docking and binding site analysis with PyMOL and LigPlus software. To check for compound’s drug-likeness were applied using DruLiTo software. Based on our previous steps, we found that niazimicin interacted with glycosyltransferase via hydrogen bond and hydrophobic interactions. Niazimicin is the best Glycosiltransferase inhibitor based on binding afinity (-7,3 kcal/mol) that is more negative than existing glycosiltransferase inhibitor, such as tert-Butyl 4-(5-formyl-2-thienyl)piperazine-1-carboxylate, sialic acid and fucose. According to Lipinski's rule parameter we discover that Niazimicin is a potential anticancer drug.
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