Synthesis and Evaluation of Central Antinociceptive activity of Ring Substituted Chalcones; Molecular Docking Studies with Monoacylglycerol Lipase (MAGL) Enzyme

Chalcones possess Michael acceptor property due to the presence of α,β-unsaturated enone moiety in their structure. In the present study, molecular docking was performed to predict binding affinity of ring substituted chalcones with Monoacylglycerol lipase (MAGL), a serine hydrolase enzyme which can inhibited by Michael acceptors such as maleimide derivatives. 3, 4-Dimethoxy derivative, 3h, with -44.45 kJmol-1 of interaction energy, exhibited highest binding affinity and formed Pi-Sulphur interactions with methionine-123 residue of MAGL enzyme. As MAGL is an emerging target for antinociceptive drug development, ring substituted chalcones were synthesized and evaluated for their central antinociceptive activity using tail immersion and hot plate methods. The results revealed that compound 3h, chalcone bearing methoxy groups at 3rd and 4th positions of phenyl ring exhibited good antinociceptive activity in both the models. Good correlation was observed between antinociceptive activity and binding affinity toward MAGL in case of compound 3h.

Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones

The synthesis of the title compound and effect of backbone oxy-derivatisation in imidazolidine derivatives on the π-acceptor property are reported.

Solvent effect on the aggregation of amphiphilic phthalocyanines substituted by polyethyleneoxide

Metal-free and copper(II) tetra-β-polyethyleneoxide-substituted phthalocyanine derivatives, TDEO6-MPc, where polyethylene oxide derivative is hexaethyleneglycolmonododecylether (DEO6), were synthesized. Those compounds are soluble in both lipophilic and hydrophilic solvents. By taking advantage of this amphiphilic property, solvent effect on the aggregation of the phthalocyanine was studied by means of UV-vis absorption and fluorescence spectroscopies. Dimerization constants of TDEO6-MPc in non-coordinating solvents were determined by the concentration dependence of absorption spectra. Aggregation is suppressed by the increase in the E T (30) value (acceptor property) of solvents in non-coordinating solvents, whereas it is promoted by the increase in Donor Number (donor property) of solvent in coordinating solvents.