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A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors

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Title A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors
 
Creator Nepali, Kunal
Singh, Gurinderdeep
Turan, Anil
Agarwal, Amit
Sapra, Sameer
Kumar, Raj
Banerjee, Uttam C.
Verma, Prabhakar K.
Satti, Naresh K.
Gupta, Manish K.
Suri, Om P.
Dhar, K.L.
 
Subject Chemical Sciences
 
Description Xanthine oxidase is a complex molybdoflavoprotein that catalyses the hydroxylation of xanthine to uric
acid. Fifty three analogues of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles were rationally designed and
synthesized and evaluated for in vitro xanthine oxidase inhibitory activity for the first time. Some notions
about structure activity relationships are presented. Six compounds 41, 42, 44, 46, 55 and 59 were found to be most active against XO with IC50 ranging from 5.3 lM to 15.2 lM. The compound 59 emerged as the most potent XO inhibitor (IC50 = 5.3 lM). Some of the important interactions of 59 with the amino acid residues of active site of XO have been figured out by molecular modeling.
 
Date 2011
 
Type Article
PeerReviewed
 
Format application/pdf
 
Identifier http://iiim.csircentral.net/194/1/10.1016j.bmc.2011.01.058.pdf
Nepali, Kunal and Singh, Gurinderdeep and Turan, Anil and Agarwal, Amit and Sapra, Sameer and Kumar, Raj and Banerjee, Uttam C. and Verma, Prabhakar K. and Satti, Naresh K. and Gupta, Manish K. and Suri, Om P. and Dhar, K.L. (2011) A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors. Bioorganic & Medicinal Chemistry, 19 (6). pp. 1950-1958. ISSN 09680896
 
Relation http://dx.doi.org/10.1016/j.bmc.2011.01.058
http://iiim.csircentral.net/194/