Sundriyal, Sandeep ; Viswanad, Bhoomi ; Ramarao, Poduri ; Chakraborti, Asit K. ; Bharatam, Prasad V. (2008) New PPARγ ligands based on barbituric acid: Virtual screening, synthesis and receptor binding studies Bioorganic & Medicinal Chemistry Letters, 18 (18). pp. 4959-4962. ISSN 0960-894X
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Official URL: http://doi.org/10.1016/j.bmcl.2008.08.028
Related URL: http://dx.doi.org/10.1016/j.bmcl.2008.08.028
Abstract
A new series of PPARγ 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 PPARγ with IC50 ranging from 0.1 to 2.5 μM as compared to reference standard, pioglitazone (IC50 = 0.7 μM).
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier B.V. |
| Keywords: | PPARγ; Virtual Screening; Docking; Diabetes; Barbituric Acid; Rosiglitazone. |
| ID Code: | 116572 |
| Deposited On: | 12 Apr 2021 10:15 |
| Last Modified: | 12 Apr 2021 10:15 |
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