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 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.
Romeiro
Nelilma C
NC
Laboratório de Avaliação e Síntese de Substâncias Bioativas (LASSBio), Faculdade de Farmácia, Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, PO Box 68023, RJ 21944-970, Brazil.
Leite
Ramon D F
RD
Lima
Lidia M
LM
Cardozo
Suzana V S
SV
de Miranda
Ana L P
AL
Fraga
Carlos A M
CA
Barreiro
Eliezer J
EJ
D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000138:chemical synthesis / Q000737:chemistry*; D002463:Cell Membrane Permeability; D003198:Computer Simulation; D051545:Cyclooxygenase 1 / Q000378:metabolism; D051546:Cyclooxygenase 2 / Q000378:metabolism; D015195:Drug Design; D006801:Humans; D011355:Prodrugs; D011485:Protein Binding; D013329:Structure-Activity Relationship; D013467:Sulindac / Q000031:analogs & derivatives* / Q000494:pharmacology
D000894:Anti-Inflammatory Agents, Non-Steroidal; D011355:Prodrugs; D013467:Sulindac; D051545:Cyclooxygenase 1; D051546:Cyclooxygenase 2