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Online Journal of Bioinformatics

Volume 20(3):166-173, 2019.

In silico model predictor for human amelogenin synthesis in tooth enamel.


Rajesh K. Kesharwani, Vandhana Mahajan and Krishna Misra.


Indian Institute of Information Technology, Allahabad, India




Kesharwani TK, Mahajan V, Misra K., In silico model predictor for human amelogenin synthesis in tooth enamel.. Onl J Bioinform., 20(3):166-173, 2019. Amelogenin protein is believed to organize enamel crystals during tooth development. We predict In silico 3D structure of human amelogenin X (HAM) and mechanism of its aggregation by computational methods. Homology modeling was carried by PDB Blast, followed by threading and abinitio structure prediction to obtain HAM protein aggregation model. The model generated HHPred was refined and optimized by loop modeling with MODELLER. We found acceptable Procheck, Verify]3D, Errat and ProQ outputs. The HAM model was validated by intermolecular interaction to form nanospheres as published. This process of biomineralization in tooth enamel could lead to biocompatible restorative materials.


Key words: Tooth enamel; Homology Modeling; Threading; Docking; Modeller; Amelogenin; Amelogenesis; Procheck; Insilico.