Journal Title
Title of Journal: Med Chem Res
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Abbravation: Medicinal Chemistry Research
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Authors: Saima Kalsoom Umer Rashid Awais Shaukat Omer Mohamed Abdalla Khalida Hussain Waqasuddin Khan Samina Nazir Mohammad Ahmad Mesaik ZaheerulHaq Farzana Latif Ansari
Publish Date: 2013/03/12
Volume: 22, Issue: 12, Pages: 5739-5751
Abstract
Interleukin2 IL2 is an immunoregulatory cytokine produced by T lymphocytes in response to antigen It is a potent growth and differentiation factor for several celltypes and is structurally related to the fourhelix bundle family of cytokines Here we report IL2 inhibitory potential and computational studies on different series of chalcones benzothiazepines semicarbazones and dihydropyrimidines These compounds were synthesized in wet lab and were then tested for their potency as IL2 inhibitors through in vitro T cell proliferation IL2 cytokine production as well as their effect on oxidative burst Compounds that showed significant suppressive activity were further evaluated for their cytotoxicity on normal two cell lines Most of the chalcones were found to have a powerful inhibitory effect on Tlymphocytes proliferation and cytokine production Among the aza heterocycles benzothiazepines benzoxazepines and benzodiazepinones were found to be the strongest IL2 inhibitors Molecular docking and MD simulation studies were carried out to correlate experimental and theoretical results whereby a good correlation was observed which indicated that computational studies could provide an alternate tool for the identification and designing of more potent IL2 inhibitors
Keywords:
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