Research Articles

Docking studies of 3,5-disubstituted thiazolidinedione chalcones as PPAR-γ agonist

Vol. 3 No. 3 (2016) 19-23 Published July 29, 2016

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Abstract

PPARs play crucial role in the regulation of cellular differentiation, development and metabolism of carbohydrates, lipids and proteins in human, of which PPAR- ? has pivotal role in glucose homeostasis. In modern drug designing, molecular docking is routinely used for understanding drug receptor interaction. In the present study molecular docking were performed on a diverse set of 3,5-disubstituted thiazolidinedione chalcone derivatives that demonstrate antidiabetic activity by stimulating PPAR- ?. Among the designed analogues, e3, a3, b3 and c3 showed significant binding free energy of -12.29, -12.04, -11.53 and -11.45 kcal/mol with predicted inhibitory constant values of 987.38 pM, 1.5, 3.53 and 4.04 nM respectively and all the selected compounds were compared with standard drug Rosiglitazone.

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Author information

  • Fajeelath Fathima

    Grace College of Pharmacy

  • Abitha Haridas

    Grace College of Pharmacy

  • Baskar Lakshmanan

    Grace College of Pharmacy

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Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.

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Fathima, F.; Haridas, A.; Lakshmanan, B. Docking Studies of 3,5-Disubstituted Thiazolidinedione Chalcones As PPAR-&gamma; Agonist. J Pharm Chem 2016, 3 (3), 19-23. https://doi.org/10.14805/jphchem.2016.art64.
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Received
April 14, 2016
Published
July 29, 2016
Section
Research Articles
Pages
19-23

Keywords

  • AutoDock 4.2
  • Docking
  • PPAR-γ
  • Thiazolidinedione chalcones

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