Universitas Indonesia Conferences, 1st International Conference on Advance Pharmacy and Pharmaceutical Sciences

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Virtual Screening of Secondary Metabolites Derived from Marine Fungi as Epidermal Growth Factor Receptor Tyrosine Kinase (EGFR-TK) Inhibitors
Mega Watty, Arry Yanuar, Rezi Riadhi Syahdi

Last modified: 2016-11-04


EGFR, a transmembrane protein with cytoplasmic kinase activity, transduces growth factor signaling from extracellular to the cell. EGFR downstream signaling increases proliferation and reduces apoptosis. Agents that targeted to intracellular tyrosine kinase are tyrosine kinase inhibitor (TKI) small molecules, the mechanism of action affecting ATP binding to the receptor. Bioactive compounds exploration from marine materials, including marine fungi, for anticancer treatment has become a major concern lately. Therefore, the purpose of in silico screening in this study to obtain the marine fungi bioactive compounds as a potential EGFR-TK inhibitor, which acts as anti-proliferative agent on tumor cell growth. Virtual screening was conducted using AutoDock and Vina. Based on these screening results, from the total of 268 actives compounds that  were obtained from data mining, have been identified three active compounds as inhibitor of EGFR-TK, Fiscalin A derived from Neosartorya paulistensis KUFC 7897, Aspergiolide B derived from Aspergillus flavus, and Sporothrin A derived from Sporothrix sp. So that further research related to the potency of Fiscalin A, Aspergiolide B, and Sporothrin A as EGFR-TK inhibitor can be done.


Keywords: marine fungi compounds, EGFR-TK, virtual screening, AutoDock, Vina, antiproliferative