QSAR AND PHARMACOPHORE MODELING BASED DRUG DESIGNING FOR SPLEEN TYROSINE KINASE (SYK) PROTEIN FOR HUMAN USING ACCELRYS DISCOVERY STUDIO SOFTWARE IN LINUX SERVER

From this current research, Syk (spleen tyrosine kinase) protein and gene information is analyzed by different genomics, proteomics tools & databases. One crystal ligand 4DFL was collected from protein data bank (pdb). From different literature review 131 syk protein inhibitors were collected. Molecular modeling of these 131 molecules was done through Accelrys discovery studio (ADS). Choose appropriate force-field & minimization (Smart, Stephent Descent, and Conjugate Gradient) according to selected molecules. Then collected crystal ligand is purified by protein purification method and used appropriate conformation (BEST, FAST, and CAESAR). Docking methods were analyzed with protein, crystal ligand and similar inhibitors to know the best protein-ligand interaction. Pharmacophore research is done through HIPHOP and HYPOGEN method. Protein with final compound docking method is done after completion of virtual screening method.  Pharmacophore research with final molecule was done. Quantitative structure activity relationship (qsar) method is analyzed to know the correlation between the above selective structures. From virtual screening method, best and final compound is analyzed. So, final molecule can be a drug molecule for SYK protein abnormality diseases. However, the scope for fine tuning and optimizing this potent class of syK inhibitors could lead to the generation of new therapeutic agents