Virtual Screening of Thymol Thiophenol Analogues for Antiepileptic Activity

Kaushal Arora1, Deepanshu Sindhwani1, Satvinder Singh2 and Prabhakar Kumar Verma1*

1Department of Pharmaceutical Sciences Maharshi Dayanand University, India
2Department of Pharmaceutical Sciences, Baba Mastnath University, India

^*Correspondance to: Prabhakar Kumar Verma 

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Abstract:

Epilepsy is a chronic neurological disorder which affects people of almost all age group. It is mainly recognized by brief episodes of recurrent seizures which involves either a part of body or as whole body and sometimes in epilepsy patient is unconscious. Although various drugs are available in market for treatment of epilepsy but still there is a need to develop new drug because every drug has its own limitations. For developing new drug there is need of huge money and it is time consuming process but molecular docking is one of the important methods by which we can do that work and estimate the probability of developing new drug on the basis of dock score and glide energy. So, in our work we take thymol which is dietary monoterpenoid and have potent neuroprotective activity, we make derivatives of thymol with thiophenol group and then docking was done with suitable receptors for antiepileptic property. The thymol thiophenol derivatives were designed using ChemDraw software and were docked with PDBID 5HVX and 3F8E protein receptors using Schrodinger software. Thymol thiophenol derivatives bind more efficiently than standard drug ethosuximide with protein receptors which is observed because the docking score and the glidant energy of the thymol thiophenol derivatives is much better than standard drug ethosuximide, which may conclude that thymol derivatives have potent anti-epileptic potential when bind to these receptors PDBID 5HVX and 3F8E.

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Cite the Article:

Arora K, Sindhwani D, Singh S, Verma PK. Virtual Screening of Thymol Thiophenol Analogues for Antiepileptic Activity. Ann Clin Case Rep. 2022; 7: 2322..