DATABASE COMPILATION AND VIRTUAL SCREENING OF SECONDARY METABOLITES DERIVED FROM MARINE FUNGI AS EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE ABSTRACT KINASE INHIBITORS


Mega Watty, Rezi Riadhi Syahdi, Arry Yanuar

Abstract


Objective: Epidermal growth factor receptor (EGFR), a transmembrane protein with cytoplasmic kinase activity, transduces growth factor signaling from the extracellular space to the cell. EGFR downstream signaling increases proliferation and reduces apoptosis. Agents that are targeted at intracellular tyrosine kinase are tyrosine kinase inhibitor small molecules, which have a mechanism of action that affects adenosine triphosphate binding to the receptor. The exploration of bioactive compounds from marine materials, including marine fungi, has become a major interest lately for anticancer treatment.

Methods: In this research, a database was created and in silico screening was conducted using AutoDock and Vina to obtain potential marine fungi bioactive compounds as EGFR-tyrosine kinase (EGFR-TK) inhibitors, which act as antiproliferative agents on tumor cell growth.

Results: This research has concluded that the three marine fungi compounds with the lowest binding free energy, FU0015, FU0051, and FU0202, have great potential as inhibitors of EGFR-TK. 

Conclusions: Three active compounds were identified as inhibitors of EGFR-TK, which were Fiscalin A, derived from Neosartorya paulistensis KUFC 7897 (FU0015); Aspergiolide B, derived from Aspergillus flavus (FU0051); and Sporothrix A, derived from Sporothrix sp. (FU0202).


Keywords


Marine fungi compounds, Epidermal growth factor receptor-tyrosine kinase, Virtual screening, AutoDock, Vina, Antiproliferative.

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About this article

Title

DATABASE COMPILATION AND VIRTUAL SCREENING OF SECONDARY METABOLITES DERIVED FROM MARINE FUNGI AS EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE ABSTRACT KINASE INHIBITORS

Keywords

Marine fungi compounds, Epidermal growth factor receptor-tyrosine kinase, Virtual screening, AutoDock, Vina, Antiproliferative.

DOI

10.22159/ajpcr.2017.v10s5.23118

Date

01-10-2017

Additional Links

Manuscript Submission

Journal

Asian Journal of Pharmaceutical and Clinical Research
Vol. 10, Special Issue (Oct.), 2017 [PTMDS 2017] Page: 142-147

Print ISSN

0974-2441

Online ISSN

2455-3891

Statistics

86 Views | 46 Downloads

Authors & Affiliations

Mega Watty
Department of , Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia

Rezi Riadhi Syahdi
Department of , Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia

Arry Yanuar
Department of , Faculty of Pharmacy, Universitas Indonesia, Depok, Indonesia.
Indonesia


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