QSAR Based Design & Synthesis

We carried out a QSAR study on benzotriazine derivatives & studied 28 potent GABAA receptor ligands; derivatives of benzotriazines, using a combination of various physicochemical, steric, electronic and thermodynamic descriptors to determine the quantitative correlation between binding affinity and structural features with potent anticonvulsant activity. Correlation between these properties and anticonvulsant activity was used to synthesize compounds possessing potent anticonvulsant activity. Most of the compounds showed an ability to inhibit the maximum electroshock (MES) and pentylenetetrazole (PTZ)-induced convulsions. Compound 1A, i.e. 2-(4-Chloro-phenyl)-5-nitro-1H-benzimidazole exhibited maximum activity.

Priyal Jain Asst. Prof Sagar Institute of Research and Technology-Pharmacy, Bypass Road, Bhopal-462036 (M.P), India. He has devoted their work to develop different 3D & 2D QSAR models for drug design.