Abstract

Antitarget interaction, acute toxicity and protein binding studies of quinazolinedione sulphonamides as GABA1antagonists

Author(s): Ajeet1, Mansi Verma2, Sangeeta Rani3, A Kumar1
1Department of Pharmaceutical Chemistry and Drug Design, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar-251 001, India 2Department of Pharmacology, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar-251 001, India 3Department of Pharmacognosy, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar-251 001, India

Correspondence Address:
Ajeet Department of Pharmaceutical Chemistry and Drug Design, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar-251 001 India E-mail: [email protected]


Diseases characterized by recurrent seizures are known as epilepsy. One of the most important mechanisms for handling it is GABA1receptor mediated inhibition. In the same context while studying the treatment of epilepsy we observed significant effects by derivatives of sulfonamides, which prompted us to design novel derivatives by means of in silico resources with antiepileptic effects. Molecular docking approaches are routinely used in modern drug design to help understand drug–receptor interaction. This study has been performed with the help of Chemdraw Ultra 7.0, GUSAR online tool for IC50and LD50predictions, AutoDock Vina (Python Prescription 0.8), and PaDEL software. Results revealed that ligand-protein interaction affinity of all 10 designed molecules ranges from -5.7 Kcal/mol to -5.2 Kcal/mol, which is approximately comparable to pre-existing GABA1inhibitor i.e. phenytoin (CID: 1775, ligand-protein interaction affinity is -6.5 Kcal/mol).



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