Main Article Content
Epilepsy is characterized by the presence of recurrent seizures. A seizure can be defined as “an episodic disturbance of movement, feeling, or consciousness caused by sudden synchronous, inappropriate, and excessive electrical discharges in the cerebral cortex”. One in every three patients with epilepsy is probable to be severely disabled. It is continuing this scenario as an attempt to develop potent and nontoxic anti-convulsant agents. Recently the discovery of benzothiazepine derivatives as an anticonvulsant agent is a significant area for research in medicinal chemistry as it is free from all side effects which is shown by a developed as an anticonvulsant agent. In this paper, we have presented results of 2D, and 3D docking poses studies of a series of 300 (Three series) molecules containing 1,5-benzothiazepine pharmacophore as anti-convulsant agents. Docking analysis was utilized to predict the mechanism of action of the designed derivatives for anticonvulsant potential. All the molecules exhibited a binding score in the range of -82.61 to - 118.25 kcal/mol. Most active molecules from Series 1, 2 and 3 exhibited hydrogen bond interactions with LEU282B, LEU282B and LEU282B. Also for the selected standard sodium phenytoin showed the hydrogen bond interaction with LYS637A. It was noted that the docking score of 1a to 10a, 101b to 110b and 201c to 210c was almost the same as that of selected standard sodium phenytoin. The protein showed hydrogen bonding with all synthesized compound showed potential against epilepsy with GABA nergic mechanism.
Keywords: Anti-convulsant; 1,5-benzothiazepine; V-Life MDS 4.3.
This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.
The journal allows the author(s) to hold the copyright without restrictions and will retain publishing rights without restrictions.
The submitted papers are assumed to contain no proprietary material unprotected by patent or patent application; responsibility for technical content and for protection of proprietary material rests solely with the author(s) and their organizations and is not the responsibility of the journal. The main (first/corresponding) author is responsible for ensuring that the article has been seen and approved by all the other authors. It is the responsibility of the author to obtain all necessary copyright release permissions for the use of any copyrighted materials in the manuscript prior to the submission.
What are my rights as an author?
It is important to check the policy for the journal to which you are submitting or publishing to establish your rights as
Author. Journal's standard policies allow the following re-use rights:
- The journal allows the author(s) to hold the copyright without restrictions.
- The journal allows the author(s) to obtain publishing rights without restrictions.
- You may do whatever you wish with the version of the article you submitted to the journal.
- Once the article has been accepted for publication, you may post the accepted version of the article on your own personal website, your department's website or the repository of your institution without any restrictions.
- You may not post the accepted version of the article in any repository other than those listed above (i.e. you may not deposit in the repository of another institution or a subject-matter repository) until 12 months after publication of the article in the journal.
- You may use the published article for your own teaching needs or to supply on an individual basis to research colleagues, provided that such supply is not for commercial purposes.