Abstract

SYNTHESIS AND EVALUATION OF ?-CARBOLINE DERIVATIVES AS POTENTIAL MAO INHIBITORS BY USING QSAR STUDY

Bhawarker Swati*, Dr. Agrawal Amit, Mishra T. S., Kumari Manisha,
Kumari Mamta

ABSTRACT

β-carboline alkaloids are obtained in plants and animals and act as benzodiazepine inverse agonist. It inhibits MAO. The β-carboline like harmine, harmaline, tetrahydro harmine play a pivotal role by preventing the breakdown of dimethyl tryptamine in the gut and inhibit monoamine oxidase, thus making it psychoactive upon oral administration. Some β-carboline like tryptoline and pinoline are formed in the human body. QSAR study were performed on all compounds against MAO-A as anti-anxiety activity using Chem Draw Software version7.0. For all compounds the descriptors/ parameters values were calculated by “compute properties” program. The regression analysis was carried out using VALSTAT software. The best model was selected on the basis of statical parameters like r, r2, q2, pred r2, standard deviation, Spress. From the QSAR study concluded that partition coefficient and 1, 4 vander wall energy both is positively correlated to activity. It should be attached to the molecules to increase the biological activity. On the basis of best model we can design new compound to improve activity. These new molecule can be used for the treatment of anxiety with greater efficiency and better effects.

Keywords: ?-carboline, QSAR, MAO-A, Chem Draw Software version7.0.