Abstract

SCREENING OF NEWLY SYNTHESIZED SPIROAZETIDIN-2-ONES FOR ORAL ACTIVITY

Rajala Srikala* and Medepalli Narayana Babu

Abstract

For eight compounds 1-(substituted phenyl)-3-chloro-5,9-bis(furan-2- ylmethylidene)-1-azaspiro[3.5] nonan-2-ones (3a - 3h) in set, Lipinski parameters were calculated. The chemical structures of the above mentioned derivatives were given as input and desired Lipinski parameters were selected. These studies were carried out using DS accord for excel (ADME screening) provided by Accelrys Discovery studio software. Parameters were calculated based on the chemical structure. From the results obtained, drugs which are likely to be orally active can be identified. All the calculated parameters depend solely on the chemical structure of the derivatives and determine their oral activity providing a relationship between the structure and its activity.

Keywords: Spiro, azetidin-2-ones, Furan, Lipinski parameters, ADME screening.