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In silico design of peptidomimetics for PKC-β II inhibition: perspectives for diabetic cardiomyopathy therapy

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Abstract

Diabetic cardiomyopathy (DCM) is a clinical condition characterized by ventricular dysfunction which develops in diabetic patients in the absence of a coronary disease. The link between the cardiovascular disease and diabetic complications is unveiled by many experimental studies. Activation of PKC-β II, which is a member of protein kinase C (PKC) family, plays a key role in diabetes-induced cardiovascular complications. We have designed Type III peptidomimetics derived from β-secretase peptide crystal structure, which inhibit the binding of receptor for activated C kinases to the C2 domain of PKC-β II. The newly designed peptidomimetics showed good interactions with the active site of PKC-β II in the molecular docking studies. This study may contribute to the development of molecules, which may be useful in the treatment of DCM complications.

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Authors and Affiliations

  1. Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), Sector-67, S.A.S. Nagar, Punjab, 160 062, India

    Shishir Rohit, Anand Balupuri & M. Elizabeth Sobhia

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  1. Shishir Rohit
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  2. Anand Balupuri
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  3. M. Elizabeth Sobhia
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Correspondence to M. Elizabeth Sobhia.

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Rohit, S., Balupuri, A. & Sobhia, M.E. In silico design of peptidomimetics for PKC-β II inhibition: perspectives for diabetic cardiomyopathy therapy. Med Chem Res 22, 3794–3801 (2013). https://doi.org/10.1007/s00044-012-0378-2

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  • DOI: https://doi.org/10.1007/s00044-012-0378-2

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