Original Articles
K Aniket, Aakanchha, Shankarac
Abstract
DRD-1 (Defense-related Alcohol Dehydrogenase) protein plays an important part in detoxification of a pathogen-derived compound against Erwinia carotovora. The present study aims to predict the structure of the protein through homology modeling for better understanding of the mechanism of protein ligand interaction. 3D structure model of protein DRD-1 was constructed based on the structure of the template 1YQD. All the structural models were verified by a series of tests like Procheck, What_check, Errata, Verify 3D and Prove. Also, Gnuplot between the profiles of the predicted model and the template also shows that generated model is the best based on selected templates. After the model was designed, it underwent docking with 6 different ligands and their analogs and it was found out that an analog of o-vanillin was the best fit ligand for our model among other ligands. This Study will be useful will be useful in designing better lead compound to overcome toxicity aspects.