Design of Novel Biphenyl-2-thioxothiazolidin-4-one Derivatives as Potential Protein Tyrosine Phosphatase (PTP)-1B Inhibitors Using Molecular Docking Study

Author(s): Sant Kumar Verma, Tarun Rajpoot, Manoj K. Gautam, Akhlesh K. Jain, Suresh Thareja

Journal Name: Letters in Drug Design & Discovery

Volume 13 , Issue 4 , 2016

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Graphical Abstract:


Protein Tyrosine Phosphatase (PTP)-1B is a cytosolic receptor like PTPase, which plays an important role in treatment of type 2 diabetes mellitus (T2DM) via negative regulation of insulin signaling pathway. It is evident from the literature that biphenyl ring substituted compounds possess significant PTP-1B inhibitory activity due to extended interaction of the additional phenyl ring with the allosteric site of PTP-1B along with sufficient lipophilicity to cross intracellular barrier. Additionally, 2-thioxothiazolidin-4-one scaffold is a bio-isostere of 2, 4-thiazolidinedione with potent antidiabetic potential. Therefore, it was considered of interest to design and study the mode of binding of novel N- 3 substituted biphenyl-2-thioxothiazolidin-4-one derivatives using molecular docking technique by MVD software. The results of our designing study may be useful for the future development of novel PTP-1B inhibitors for the management of T2DM.

Keywords: Biphenyl, insulin signaling pathway, molecular docking, PTP-1B, T2DM, 2-Thioxothiazolidin-4-one.

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Article Details

Year: 2016
Published on: 03 March, 2016
Page: [295 - 300]
Pages: 6
DOI: 10.2174/1570180812666150819002954
Price: $65

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