Centre for Bioinformatics, Pondicherry University, Puducherry
Biography
In this study, the 2NPD protein structure was modeled using Modeller software. Molecular dynamics studies were performed for the model protein 2NPD, which showed its stability. The predicted protein model of 2NPD of Mycobacterium tuberculosis was used further in docking studies to obtain the set of lead molecules which could inhibit the protein function. Ligand based docking studies were performed which resulted in obtaining hits like CID 6236537, CID 9646169, CID 1843492CID, 6217473, and CID 6895994 which have high potency to form stable complex
