title: New PPARgamma ligands based on barbituric acid: virtual screening, synthesis and receptor binding studies.
abstract: 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).
authors.affiliation: Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar, Punjab 160062, India.
authors.forename: Sandeep
authors.initials: S
authors.lastname: Sundriyal
authors.forename: Bhoomi
authors.initials: B
authors.lastname: Viswanad
authors.forename: Poduri
authors.initials: P
authors.lastname: Ramarao
authors.forename: Asit K
authors.initials: AK
authors.lastname: Chakraborti
authors.forename: Prasad V
authors.initials: PV
authors.lastname: Bharatam