DISCOVERY OF NOVEL PHTHALIMIDE ANALOGOUS BASED ANTI-EPILEPTIC BY MOLECULAR DOCKING

Abstract

Aim: The development of innovative compounds for managing seizures with greater therapeutic efficacy and fewer side effects by molecular docking.

 Introduction: One of the major global problems is epilepsy, a severe brain illness that affects around 1% of people globally. Vigabatrin, sodium valproate, phenytoin, and other strong medications for the treatment of epilepsy causes side effects and patient resistance. Despite the antiepileptic drug development process seems to be successful, more effective and safer, still antiepileptic drugs are needed, especially for the treatment of refractory seizures. The study’s focus was on phthalimide analogs with strong GABA-AT inhibitory effects by molecular docking.

 Methodology: Since protein-ligand interactions are important for drug design, The protein data bank was used to retrieve the 3D structures of GABA-AT, and the Chem Office tool was used to dock the 3D structures of Novel Ligand (Chem Draw 16.0).

 Result: By using Lipinski’s rule of five on the novel analogs to assess their anti-epileptic activity, and the drug-likeness property was verified. All the compounds had docking energies over 6.11 kcal/mol for the anti-epileptic GABA-AT receptors.

 Conclusion: These concluded that novel compounds can be the promising lead for further study as an Anti-Epileptic for the management and prevention of Epilepsy