New PPARgamma ligands based on barbituric acid: virtual screening, synthesis and receptor binding studies.
A new series of PPARgamma ligands based on barbituric acid (BA) has been designed employing virtual screening and molecular docking approach. To validate the computational approach, designed molecules were synthesized and evaluated in in vitro radioligand binding studies. Out of the total 14 molecules, 6 were found to bind to the murine PPARgamma with IC(50) ranging from 0.1 to 2.5 microM as compared to reference standard, pioglitazone (IC(50)=0.7 microM).
Sundriyal
Sandeep
S
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar, Punjab 160062, India.
Viswanad
Bhoomi
B
Ramarao
Poduri
P
Chakraborti
Asit K
AK
Bharatam
Prasad V
PV