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Virtual Screening Tool Base d Designing and Evaluation of Novel Sulfonamide Derivatives as Anticonvulsant Agent – A Pharmacophoric Approach

Keywords: Sulfonamide derivative , Anticonvulsant agent , In - silico , Doc king , AutoDock , ADMET.

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Abstract:

This work has been presented for suggesting the novel sulfonamide derivatives as potent anticonvulsant agents on the basis offinding the pharmacophoric pattern of well known anticonvulsants agents of different classes. For the stated purpose we useddocking as virtual screening method and it is also the basis for pharmacophoric pattern determination. We used the AutoDocksoftware as virtual screening tool. On the basis of pharmacophoric pattern we suggested the new anticonvulsant agents. Theseagents were then screened on the basis of docking procedures and further in-silico evaluation of novel agents has been performed.The docking analysis has revealed that the novel agent CS shows binding with voltage gatedsodium channel, GABAaminotransferase and also with voltage gated calcium channel but after comparing the number of hydrogen bonds and bindingaffinity, CS is supposed to be bind perfectly with GABA aminotransferase with 7 hydrogen bonds and-6.8 Kcal/molof bindingenergy. The other novel agents DPS, SRS and TS do not shows any binding with GABA aminotransferase while they showsbinding with voltage gated sodium and calcium channels.

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