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Small Molecule Inhibitors of PTP1B and TCPTP

Keywords: PTP1B(Protein Tyrosine Phosphatase) , TCPTP(T-cell PTP) , pNPP(Para Nitro Phenol Pyrophosphate) , FBDD(Fragment Based Drug Discovery).

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Abstract:

Fragment based drug design is a new approach in identifying the initial chemical starting point for drug discovery programs. Fragment based drug design allows screening of a substantial number of compounds usually hundred - thousand compounds. It identifies fragments which binds specifically but with low affinity in the range of 0.1-10mM.The small sized fragments make the subsequent optimization is relatively easier to build the molecule by exploring the chemical space in the binding pocket.The virtual screening study of small molecule compounds from a chemical library was carried out and selected few molecules as inhibitors of PTP1B/TCPTP. These molecules were tested by in-vitro biochemical assay and were inhibiting both PTP1B and TCPTP.

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