Prediction of Aflatoxin-B1 (AFB1) Molecular Mechanism Network and Interaction to Oncoproteins Growth Factor in Hepatocellular Carcinoma

Antonius, Yulanda and Kharisma, Viol Dhea and Widyananda, Muhammad Hermawan and Ansori, Arif Nur Muhammad and Trinugroho, Joko Pebrianto and Ullah, Md. Emdad and Naw, Sin War and Jakhmola, Vikash and Wahjudi, Mariana (2022) Prediction of Aflatoxin-B1 (AFB1) Molecular Mechanism Network and Interaction to Oncoproteins Growth Factor in Hepatocellular Carcinoma. Journal of Pure and Applied Microbiology (7686). pp. 1-11. ISSN 0973-7510 (In Press)

PDF JPAM.16.3.29.pdf - Published Version Download (861kB)

Abstract

Aflatoxin-B1 (AFB1) is a common contaminant for staple foods during the storage process. Chronic exposure to AFB1 is widely known to induce the development of hepatocellular carcinoma (HCC). However, there is a lack of understanding of AFBi role in HCC mechanism. This research aims to identify protein(s) in HCC that might interact with AFB1 and to predict the pathway effected by AFB1. Analyses were performed using bioinformatics tools. SMILES notation of AFB1 was submitted into Swiss Target Prediction. Interaction among predicted proteins were analyzed by using STRING. The 3D structure of target protein was constructed by homology modeling. Reverse docking was performed, and the result was ranked based on binding affinity score. Furthermore, protein interaction network was constructed and analyzed by using Cytoscape. Results showed that three protein groups were predicted as target of AFB1, such as kinases, phosphatases, and G protein-coupled receptor with probability of 46.7%, 20%, and 6.7%, respectively. Seven proteins of kinases were strongly related to HCC, including RAF1, MAPK1, MAPK3, AKT1, EGFR, GSK3B, and mTOR. Reverse docking considered the AKT1-AFB1 as the most potential complex with the lowest affinity score -10.2 kcal.mol-1. It has hydrophobic bonds in Trp80, Val270, Tyr272, Asp292, Thr211, Leu210, Leu264, and Lys268 residues, whereas hydrogen bond in Ser205 residues. Moreover, further analysis demonstrated that interaction of AKT1-AFB1 is related to the metastasis pathway in HCC mechanism.

Item Type:	Article
Uncontrolled Keywords:	Cancer, Kinase Protein, Protein Interaction, Protein Pathway, Toxin
Subjects:	Q Science > Q Science (General) R Medicine > R Medicine (General)
Divisions:	Faculty of Technobiology > Department of Biology
Depositing User:	YULANDA ANTONIUS
Date Deposited:	08 Aug 2022 08:03
Last Modified:	08 Aug 2022 08:04
URI:	http://repository.ubaya.ac.id/id/eprint/42283

Actions (login required)

View Item