title: Antitarget Interaction, Acute Toxicity and Protein Binding Studies of Quinazolinedione Sulphonamides as GABA1 Antagonists.
abstract: Diseases characterized by recurrent seizures are known as epilepsy. One of the most important mechanisms for handling it is GABA1 receptor 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 IC50 and LD50 predictions, 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 GABA1 inhibitor i.e. phenytoin (CID: 1775, ligand-protein interaction affinity is -6.5 Kcal/mol).
authors.affiliation: Department of Pharmaceutical Chemistry and Drug Design, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar-251 001, India.
authors.lastname: Ajeet
authors.affiliation: Department of Pharmacology, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar-251 001, India.
authors.forename: Mansi
authors.initials: M
authors.lastname: Verma
authors.affiliation: Department of Pharmacognosy, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar-251 001, India.
authors.forename: Sangeeta
authors.initials: S
authors.lastname: Rani
authors.affiliation: Department of Pharmaceutical Chemistry and Drug Design, S. D. College of Pharmacy and Vocational Studies, Muzaffarnagar-251 001, India.
authors.forename: A
authors.initials: A
authors.lastname: Kumar
keywords: GABA1; Quinazolinediones sulphonamide; docking; online tools