PRATIBHA DHAKLA, ROHIT DUTT AND DIMPY RANI*
Department of Pharmacy, School of Medical & Allied Sciences, Gayatri Devi Goenka University, Gurugram-122 103
(Haryana), India
*(e-mail : dimpy1990@gmail.com; Mobile : 89010 84320)
(Received : June 1, 2022; Accepted : July 15, 2022)
ABSTRACT
Designing of selective HDAC2 inhibitors will have less adverse effects and better safety profiles. For
HDAC2 selectivity, the coumarin derivatives were designed according to the structural requirement of
HDAC2 inhibitors. The designed derivatives were then subjected to docking studies and ADME screening
by in silico approach. Results showed that compounds had good binding affinity towards HDAC2 and also
had drug likeness property. The results of the study can be used for further structural modifications,
synthesis and biological evaluation of selective HDAC2 inhibitors.
Key words : ADME, coumarin, drug likeness, HDAC2 inhibitors, molecular docking