Design, Insilico Analysis and Molecular Docki...

Design, Insilico Analysis and Molecular Docking Study Of 4-Phenoxy-1h-Pyrazolo [3, 4-D]-Pyrimidine Derivatives: A Comparative Study

Author Name : Menaka S, Keerthana D, Dharini S, Vaishnavi D, Prabakaran A, Amyca Sharon J, Ramalakshmi N

ABSTRACT

Molecular docking tool is used to explore the receptor-ligand interactions of a wide range of ligands with several receptors with  the aim of evaluating their biological activity .The present study includes determination of the biological activity of already studied compound against FMS like Thyrosine kinase (FLT3) enzyme in the treatment of psoriasis.In our study we aimed at the insilicoevaluation of series of reported pyrazolo[3,4- d]pyrimidine derivatives against enzymes Human Interleukin 17a [PDB ID: 4HR9],Tyrosine-Protein Kinase JAK2[PDB ID:2B7A],TNF-α [PDB ID: 1TNF] and Receptor-type Tyrosine-Protein Kinase FLT3 [PDB ID:4RT7] to evaluate their potency against these enzymes.Furtherinsilico analysis like prediction of drug-likeness, pharmacokinetic parameters and prediction of toxicity were performed for the reported pyrazolo [3,4- d] pyrimidine derivatives.

Keywords: Molecular docking, 4-Phenoxy-1H pyrazolo(3,4-D)- Pyrimidine derivative, In-silico analysis.