Asian Journal of Pharmaceutical Analysis
Year : 2018, Volume : 8, Issue : 1
First page : ( 39) Last page : ( 44)
Print ISSN : 2231-5667. Online ISSN : 2231-5675.
Article DOI : 10.5958/2231-5675.2018.00007.8

Insilico Activity Prediction of Thiazolidinediones Derivatives

Krishna P. Navya*, Mohite Y. Mukesh

Dept. of Pharmaceutical Chemistry, Dr. D. Y. Patil College of Pharmacy, Akurdi, Pune, Maharashtra-411044

*Corresponding Author E-mail: dkmbsp@gmail.com

Online published on 2 June, 2018.

Abstract

Diabetes mellitus is a common form of metabolic disorder where level of blood glucose in the bloodstream raises high, because of deficiency of insulin and development of insulin resistance in diabetic individuals. Diabetic patients develop serious complication with the development of disease, such as obesity, risk of stroke and heart failure. Even with great advances in modern medicine and potentially effective therapeutic approaches, search for effective treatment for diabetes is still a big challenge. In our present study we selected Thiazolidinediones (TZDs) as ligand. It is also known as "glitazones, " bind to PPARγ, a type of nuclear regulatory protein involved in transcription of genes regulating glucose and fat metabolism. These PPARs act on peroxysome proliferator responsive elements (PPRE). The PPREs influence insulin-sensitive genes, which enhance production of mRNAs of insulin-dependent enzymes. In our Present research work we have chosen Peroxisomal (S)-2-hydroxy acid oxidase (1al7), UDP-glucose-4-epimerase(1a9y) as targets to screen our proposed chemical structures for antibiabetic activity. The molecules were docked to the above said targets and the energy values obtained are as follows using the docking software. Depending on the energy values we have chosen the best three drug analogs they are Compound 3b {-8.8}, Compound 3e {-8.7}, Compound 3f {-8.8}. We tried to improve the binding efficiency and steric compatibility. Several modifications were made to the probable functional groups which are interacting with receptor molecules. Analogs of this drug molecule were prepared using ACD-chem.-sketch and docking. The modified drugs is sketched using chem.-sketch were found to be better than the conventional drugs available.

Top