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  3. Design, synthesis and biological evaluation of 5-benzylidene-2-iminothiazolidin-4-ones as selective GSK-3β inhibitors

Design, synthesis and biological evaluation of 5-benzylidene-2-iminothiazolidin-4-ones as selective GSK-3β inhibitors

  • Eur J Med Chem. 2016 Oct 4;121:727-736. doi: 10.1016/j.ejmech.2016.04.075.
Minhajul Arfeen 1,  Shweta Bhagat 1,  Rahul Patel 1,  Shivcharan Prasad 2,  Ipsita Roy 2,  Asit K Chakraborti 1,  Prasad V Bharatam 3
Affiliations

Affiliations

  • 1 Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar, 160062, Punjab, India.
  • 2 Department of Biotechnology, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar, 160062, Punjab, India.
  • 3 Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S. Nagar, 160062, Punjab, India. Electronic address: [email protected].
PMID: 27423119 DOI: 10.1016/j.ejmech.2016.04.075
Abstract

In this work, iminothiazolidin-4-one derivatives were explored as selective GSK-3β inhibitors. Molecular docking analysis was carried to design a series of compounds, which were synthesized using substituted thiourea, 2-bromoacetophenones and benzaldehydes. Out of the twenty five compounds synthesized during this work, the in vitro evaluation against GSK-3 led to the identification of nine compounds with activity in lower nano-molar range (2-85 nM). Further, in vitro evaluation against CDK-2 showed five compounds to be selective towards GSK-3.

Keywords

CDK-2; GSK-3; Molecular docking; Molecular dynamics; SBDD.

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