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.
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