Title:Design of Novel Biphenyl-2-thioxothiazolidin-4-one Derivatives as Potential Protein Tyrosine Phosphatase (PTP)-1B Inhibitors Using Molecular Docking Study
VOLUME: 13 ISSUE: 4
Author(s):Sant Kumar Verma, Tarun Rajpoot, Manoj K. Gautam, Akhlesh K. Jain and Suresh Thareja
Affiliation:School of Pharmaceutical Sciences, Guru Ghasidas Central University, Bilaspur- 495 009 (C.G.), India.
Keywords:Biphenyl, insulin signaling pathway, molecular docking, PTP-1B, T2DM, 2-Thioxothiazolidin-4-one.
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.
