In Silico Identification of Potential Inhibitors of Dengue Mosquito, Aedes Aegypti Chorion Peroxidase
Edwin Plata Alcantara · Computational Biology and Bioinformatics · 2014
The three dimensional structure of Aedes aegypti chorion peroxidase was computed by homology modeling. The ModWeb server provided the most accurate model with QMEAN score of 0.642. The protein model consists of 36.1% alpha-helices and 1% beta-strand. Ligand binding sites in Aedes aegypti chorion peroxidase were identified using SiteComp server. In silico docking of a subset of ZINC natural products database was focused on the predicted binding site. Three ligands were found to be potential inhibitors of Ae. aegypti chorion peroxidase.