Review of Clinical Pharmacology and Pharmacokinetics – International Edition Volume 38 (2024) – Supplementary Issue 2

Open Access Research

Theoretical calculations and molecular design of novel dioxoisoindoline derivatives as anticonvulsant agents

Rawaa Mohammed Ahmed¹, Mohammed Oday Ezzat²
¹Department of Chemistry, College of Education for Pure Sciences, University of Anbar, Ramadi, Anbar, Iraq
²Department of Chemistry, College of Education for Women, University of Anbar, Ramadi, Anbar, Iraq

*Corresponding author: Mohammed Oday Ezzat, Department of Chemistry, College of Education for Women, University of Anbar, Ramadi, Anbar, Iraq; Tel.: +964-(0)7733760080
E-mail: edw.mohamed-oday@uoanbar.edu.iq

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Published: 5 May 2024; https://doi.org/10.61873/ANKG7670

Abstract
Our study discusses the need for the development of alternative treatments for antiepileptic drugs. It proposes a theoretical chemical study using dioxoisoindoline derivatives and molecular docking in order to find potential alternative drugs. Three compounds (S1, S3, and S4) exhibited distinct activity against specific proteins related to epilepsy treatment. Our study also describes a DFT study that analysed the energy levels of the derivatives. Furthermore, we employed Lipinski’s rule and drug likeness predictions in order to assess the suitability of the derivatives as medicines. The results indicate that the molecular mass, log P, hydrogen bonding donors, and acceptors of the compounds fall within acceptable ranges. Overall, our study emphasizes the importance of finding new treatments for epilepsy, and presents a preliminary investigation into the potential of dioxoisoindoline derivatives.

Keywords: dioxoisoindoline derivatives, anticonvulsant, molecular docking,DFT study, ADME

Please cite as:
Ahmed R.M, Ezzat M.O. Theoretical calculations and molecular design of novel dioxoisoindoline derivatives as anticonvulsant agents. Rev. Clin. Pharmacol. Pharmacokinet. Int. Ed. 38(Sup2): 47-50 (2024). https://doi.org/10.61873/ANKG7670