A Trial of a New Lecture System Corresponding to the Era of Network. (2). A Utilization of Java for an Interactive Teaching Aid System.

Lonazolac analogues: molecular modeling, synthesis, and in vivo anti-inflammatory activity

“…Docking energies showed that compounds 4a-d, 6a, d, and 8a-c might be good candidates for COX-2 inhibition. The docking positions of the docked compounds were similar to that of the internal ligand and the amino acids contributed in hydrogen-bond formations include Arg120, Arg513, His90, Tyr 355, Tyr385, Ser530, Ser 353, Gln192, Phe518, and Met522, which were reported in the literature (Akaho et al, 1999). The docking position of compound 4a (Fig.…”

“…The ICM score takes into account the ligand-receptor interaction energy, conformational strain energy of ND not done the ligand, conformational entropy loss, and desolvation effects (Cavasotto et al, 2006). The second purpose was to predict the preferentiality of the well-docked compounds towards COX-2 enzyme relative to COX-1 by docking the compounds to both isozymes and then applying Akaho's virtual screening method (Akaho et al, 1999).…”

“…To investigate the preferentiality towards COX-2 enzyme; the reported Akaho method was used (Akaho et al, 1999;Olgen et al, 2001). Before applying this, validation of the method was done using SC-558, indomethacin, and flurbiprofen.…”

“…To predict if a specific compound is preferential COX-2 or not, in silico virtual screening was done based on modified Akaho method (Akaho et al, 1999) (5E)-6-[3-(4-Substituted-phenyl)-1-phenyl-1H-pyrazol-4-yl]-4-oxohex-5-enoic acid (4a-d)…”