Computational Modelling of Tetraodon nigroviridis Melanocortin-1 Receptor (MC1R) Protein and Identification of Natural Compounds as Putative Modulators

摘要

In ornamental fisheries, body ornamentation, including the body colour, is of great economic importance. Melanocortin-1 receptor (MC1R) gene is primarily responsible for pigmentation in the majority of the vertebrates, and its modulation will help to understand the pigmentation and external body coloration. The present study was aimed to predict the MC1R tertiary protein structure of Tetraodon nigroviridis through homology modelling and to identify putative modulators. The tertiary protein structure of the MC1R protein of T. nigroviridis was homology modelled and validated. BLAHtetrone with binding efficiency of-9.7 kcal/mol was identified as a putative modulator of the MC1R protein.