Jagroop Kaur
Guru Nanak Dev University
India
Title: Optimization of the indole–pyrimidine–chrysin hybrid as the lead molecule for anti-inflammtory drugs
Biography
Biography: Jagroop Kaur
Abstract
By using the multi-target-directed drug designing strategy, a highly promising anti-inflammatory agent capable to inhibit cyclooxygenase-2 (COX-2) and lipoxygenase (5-LOX) enzymes of arachidonic acid metabolic pathway is developed. The strategic design of the molecules; linking together indole, chrysin and barbituric acid (pharmacophores of different medicinal agents) through propanol and methine moieties, was based on the results of molecular docking and molecular dynamics studies. The title compound 1 exhibited IC50 1nM and 1.5nM for COX-2 and 5-LOX, respectively. The results of UV-VIS spectral studies and isothermal titration calorimetry experiments indicated appreciable interactions of the compound with these two cellular targets. Further, the in-vivo investigations on Swiss Albino mice using capsaicin induced paw lickings and dextran induced inflammation models showed that these compounds possess appreciable analgesic and anti-inflammatory activities. The details of all the experiments including those in support of mode of action of the compound with its cellular targets will be presented.