Synthesis, pharmacological evaluation and docking studies of new sulindac analogues

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...

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Veröffentlicht in:	European journal of medicinal chemistry 2009-05, Vol.44 (5), p.1959-1971
Hauptverfasser:	Romeiro, Nelilma C., Leite, Ramon D.F., Lima, Lidia M., Cardozo, Suzana V.S., de Miranda, Ana L.P., Fraga, Carlos A.M., Barreiro, Eliezer J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Analgesics Anti-Inflammatory Agents, Non-Steroidal - chemical synthesis Anti-Inflammatory Agents, Non-Steroidal - chemistry Anti-inflammatory drugs Antinociceptive Biological and medical sciences Bones, joints and connective tissue. Antiinflammatory agents Cell Membrane Permeability Computer Simulation Cyclooxygenase 1 - metabolism Cyclooxygenase 2 - metabolism Drug Design Humans Medical sciences Molecular docking Neuropharmacology NSAIDs Pharmacology. Drug treatments Prodrugs Protein Binding Structure-Activity Relationship Sulindac - analogs & derivatives Sulindac - pharmacology Sulindac analogues
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Zusammenfassung:	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. ▪
ISSN:	0223-5234 1768-3254
DOI:	10.1016/j.ejmech.2008.11.012