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Synthesis, Molecular Modeling, and Biological Evaluation of Novel 1, 3‐Diphenyl‐2‐propen‐1‐one Based Pyrazolines as Anti‐inflammatory Agents
Author(s) -
Bukhari Syed Nasir Abbas,
Zhang Xin,
Jantan Ibrahim,
Zhu HaiLiang,
Amjad Muhammad Wahab,
Masand Vijay H.
Publication year - 2015
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/cbdd.12457
Subject(s) - chalcone , chemistry , pyrazoline , enzyme , phospholipase a2 , stereochemistry , molecular model , combinatorial chemistry , biochemistry , organic chemistry
A novel series of 1,3‐diphenyl‐2‐propen‐1‐one (chalcone) derivatives was synthesized by a simple, eco‐friendly, and efficient Claisen–Schmidt condensation reaction and used as precursors for the synthesis of new pyrazoline derivatives. All the synthesized compounds were screened for anti‐inflammatory related activities such as inhibition of phospholipase A 2 ( PLA 2 ), cyclooxygenases ( COX ‐1 and COX ‐2), IL ‐6, and TNF ‐ α . The results of the above studies show that the compounds synthesized are effective inhibitors of above pro‐inflammatory enzymes and cytokines. Overall, the results of the studies reveal that the pyrazolines with chlorophenyl substitution ( 1b – 6b ) seem to be important for inhibition of enzymes and cytokines. Molecular docking experiments were performed to clarify the molecular aspects of the observed COX ‐inhibitory activities of the investigated compounds.