Synthesis, Anti-Inflammatory, Analgesic, Molecular Modeling and Admet Studies of Novel Diclofenac Derivatives Containing Leucinyl Moiety

Autor: A.A.Elhenawy, M. A. El-Gazzar, H. M. Mohmoud, W. I. El-Eraky, S.A. W. El-Awdan
Rok vydání: 2013
Zdroj: International Journal of Chemistry and Materials Research. 1(1):1-13
Popis: The present work aims to synthesize novel diclofenac derivatives containing L-leucine moiety. The synthesized compounds docked into the active site to discover validated inhibitors of cyclooxygenases (COX-1 and COX-2). The calculations in-silico were predicted that, the compound with lowest energy of docked poses was interacted with residues of active site, perhaps could be making them possible selective inhibitors against (COX-2) and physiologically active. The binding score of compound compared with reference drug, and show extensive interactions with the targets, which may consider it a suitable selective inhibitor against (COX-2).
Databáze: OpenAIRE