化学
苏林达克
对接(动物)
药理学
立体化学
生物活性
体外
结构-活动关系
组合化学
体内
IC50型
作者
Nelilma C. Romeiro,Ramon D.F. Leite,Lı́dia Moreira Lima,Suzana V.S. Cardozo,Ana Luísa P. Miranda,Carlos A.M. Fraga,Eliezer J. Barreiro
标识
DOI:10.1016/j.ejmech.2008.11.012
摘要
This paper describes the synthesis, pharmacological evaluation and docking studies of a series of new sulindac analogues. Overall, the designed compounds revealed good, in vivo, antinociceptive activity and satisfactory anti-inflammatory profile. Flexible molecular docking with COX-1/COX-2 has shown putative binding modes of the designed compounds while the theoretical evaluation of cell permeability based on Lipinski's rule of five has helped rationalize the biological results.
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