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Eur J Med Chem ; 44(5): 1959-71, 2009 May.
Article in English | MEDLINE | ID: mdl-19144452

ABSTRACT

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.


Subject(s)
Anti-Inflammatory Agents, Non-Steroidal/chemistry , Drug Design , Sulindac/analogs & derivatives , Anti-Inflammatory Agents, Non-Steroidal/chemical synthesis , Cell Membrane Permeability , Computer Simulation , Cyclooxygenase 1/metabolism , Cyclooxygenase 2/metabolism , Humans , Prodrugs , Protein Binding , Structure-Activity Relationship , Sulindac/pharmacology
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