Modulators for structurally identical HDAC1 and HDAC2 enzymes for effective chemotherapy against neurological disorders discovered by a team of scientists at the Department of Biotechnology
Dysregulation of HDACs and aberrant chromatin acetylation homeostasis have been implicated in various diseases ranging from cancer to neurodegenerative disorders. We have used a combinatorial in silico approach for identifying the structural variants that are substantial for interactions against HDAC1 and HDAC2 enzymes. We used extra-precision (XP)-molecular docking, Molecular Mechanics Generalized Born Surface Area (MMGBSA) for predicting affinity of inhibitors against the HDAC1 and HDAC2 enzymes. The study was published in highly reputed Journal “Frontiers in Molecular Neuroscience, 2017. This study was led by Dr. Altaf Bhat, Department of Biotechnology, University of Kashmir.