Protein-Tyrosine Phosphatase-1B (PTP-1B) Inhibitory Perspectives of Hydroxylated Chalcones: Exploration through Docking Studies

Authors

  • SANTOSH S CHHAJED Department of Pharmaceutical Chemistry, MET Institute of Pharmacy, Bhujbal Knowledge City, Nashik 422003, Maharashtra, India
  • NEHA A SALUNKE Department of Pharmaceutical Chemistry, MET Institute of Pharmacy, Bhujbal Knowledge City, Nashik 422003, Maharashtra, India
  • ANIMESHCHANDRA G M HALDAR Department of Applied Chemistry, Priyadarshini Bhagwati College of Engineering, Nagpur 440009, Maharashtra, India
  • KANHAIYA M DADURE Department of Chemistry, J. B. College of Science, Wardha 442001, Maharashtra, India
  • DEBARSHI KAR MAHAPATRA Department of Pharmaceutical Chemistry, Dadasaheb Balpande College of Pharmacy, Nagpur 440037, Maharashtra, India

DOI:

https://doi.org/10.37591/(rrjobi).v6i1.307

Keywords:

Chalcone, PTP-1B, Diabetes, Hypoglycemic, Docking, Inhibitor

Abstract

The current research emphasized on exploring the Protein-Tyrosine Phosphatase-1 B (PTP-1B) inhibitory potentials of hydroxylated chalcone derivatives against PDB ID: 4I8N (PTP-1B in complex with an inhibitor [(4-{(2s)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid) by molecular docking approach using the iGEMDOCK (Genetic Evolutionary Method for Molecular Docking) software. The current molecular docking analysis of some hydroxylated chalcone derivatives have presented a profound inhibition of the antidiabetic target PTP-1B by interacting with the amino acid residues such as TYR46, ASP48, ASP181, ASP182, GLY200, CYS215, SER216, ALA217, ARG221, and GLN262 through hydrogen bonding. The hydroxyl group at 3- and 4-positions of A-ring and several electron-donating and electron-withdrawing groups at B-ring of the benzylideneacetophenone scaffold have been seen to exert an enormous role in inhibiting the phosphorylating enzyme. The complete inhibition of this new biological target by low-molecular-weight ligand will open new avenues of modern diabetic therapeutics and will motivate the present-day researchers in emerging pharmacological research.

 

Keywords: Chalcone, PTP-1B, diabetes, hypoglycemic, docking

Cite this Article

Santosh S. Chhajed, Neha A. Salunke, Animeshchandra G.M. Haldar, Kanhaiya M. Dadure, Debarshi Kar Mahapatra. Protein-Tyrosine Phosphatase-1B (PTP-1B) Inhibitory Perspectives of Hydroxylated Chalcones: Exploration through Docking Studies. Research & Reviews: A Journal of Bioinformatics. 2019; 6(1): 4–8p.

Author Biographies

  • SANTOSH S CHHAJED, Department of Pharmaceutical Chemistry, MET Institute of Pharmacy, Bhujbal Knowledge City, Nashik 422003, Maharashtra, India

    Assistant Professor,

    Department of Pharmaceutical Chemistry,

    MET Institute of Pharmacy, Bhujbal Knowledge City,

    Nashik 422003, Maharashtra, India

  • NEHA A SALUNKE, Department of Pharmaceutical Chemistry, MET Institute of Pharmacy, Bhujbal Knowledge City, Nashik 422003, Maharashtra, India

    Department of Pharmaceutical Chemistry,

    MET Institute of Pharmacy, Bhujbal Knowledge City,

    Nashik 422003, Maharashtra, India

  • ANIMESHCHANDRA G M HALDAR, Department of Applied Chemistry, Priyadarshini Bhagwati College of Engineering, Nagpur 440009, Maharashtra, India

    Assistant Professor,

    Department of Applied Chemistry,

    Priyadarshini Bhagwati College of Engineering,

    Nagpur 440009, Maharashtra, India

  • KANHAIYA M DADURE, Department of Chemistry, J. B. College of Science, Wardha 442001, Maharashtra, India

    Assistant Professor,

    Department of Chemistry,

    J. B. College of Science,

    Wardha 442001, Maharashtra, India

  • DEBARSHI KAR MAHAPATRA, Department of Pharmaceutical Chemistry, Dadasaheb Balpande College of Pharmacy, Nagpur 440037, Maharashtra, India

    Assistant Professor,

    Department of Pharmaceutical Chemistry,

    Dadasaheb Balpande College of Pharmacy,

    Nagpur 440037, Maharashtra, India

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Published

2019-05-17

Issue

Vol. 6 No. 1 (2019)

Section

Research Article

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