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OJBTM
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
ABSTRACT
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.
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