Quantitative structure-activity relationship analysis of a series of 2,3-diaryl benzopyran analogues as novel selective cyclooxygenase-2 inhibitors.
A series of recently synthesized 2,3-diaryl benzopyrans reported as novel selective cycloxygenase-2 inhibitors was subjected to quantitative structure-activity relationship (QSAR) analysis. Our attempt in correlating the derived physicochemical properties with the COX-2 inhibitory activity resulted in some statistically significant QSAR models with good predictive ability. The QSAR results and the probable pharmacophore features investigated through our study explored some interesting findings for the design of potent new class of selective COX-2 inhibitors.
Prasanna
S
S
School of Pharmacy, Devi Ahilya Vishwavidyalaya, Indore 452017, Madhya Pradesh, India. prasu05@rediffmail.com
Manivannan
E
E
Chaturvedi
S C
SC
D001578:Benzopyrans / Q000138:chemical synthesis* / Q000494:pharmacology*; D051546:Cyclooxygenase 2; D052246:Cyclooxygenase 2 Inhibitors; D016861:Cyclooxygenase Inhibitors / Q000138:chemical synthesis* / Q000494:pharmacology*; D006571:Heterocyclic Compounds / Q000138:chemical synthesis* / Q000494:pharmacology; D007700:Kinetics; D008958:Models, Molecular; D008968:Molecular Conformation; D011451:Prostaglandin-Endoperoxide Synthases / Q000378:metabolism*; D021281:Quantitative Structure-Activity Relationship; D012044:Regression Analysis; D013329:Structure-Activity Relationship
D001578:Benzopyrans; D052246:Cyclooxygenase 2 Inhibitors; D016861:Cyclooxygenase Inhibitors; D006571:Heterocyclic Compounds; D051546:Cyclooxygenase 2; D011451:Prostaglandin-Endoperoxide Synthases