ABSTRACT

Epilepsy is the disorder of Central Nervous system (CNS) and is characterized by abnormal hyper excitation and hyper synchronization of cortical neurons and currently affecting around 50 million people worldwide. The anti-epileptic drugs (AED) present to-date have serious side effects therefore the approach of the current study is to find the synthetic analogues of gossypin that have same therapeutic effect as gossypin and overcomes the challenges of crossing BBB. Best 20 analogues of gossypin were chosen and screened for the BBB permeability. Docking studies were performed on GABAA receptor and AMPA receptors with 7 BBB+ analogues of gossypin along with gossypin itself and 4 FDA approved anti-epileptic drugs. Four analogues, PubChem CID (90058541,89888477,89869617,89869564) exhibited very good efficacy in terms of BBB crossing and binding to receptors involved in epilepsy. Their docking energies were better than the marketed drugs. These analogues can be used for future drug development after preclinical studies. Keywords: Gossypin analogues, Epilepsy, Bioinformatics, BBB, Anti-epileptic drugs (AED)
Publication date: 01/02/2020

https://ijbpas.com/pdf/2020/February/MS_IJBPAS_2020_4955.pdf

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