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Title

Molecular docking analysis of timepidium with Acetylcholine and lumacaftor with GABA(A) activator

 

Authors

Warda Ali & Nisar A. Shar*

 

Affiliation

Department of Biomedical Engineering, NED University of Engineering & Technology Karachi, Pakistan

 

Email

Nisar A. Shar E-mail:nisarshar@neduet.edu.pk; *Corresponding author

 

Article Type

Research Article

 

Date

Received November 20, 2019; Revised December 10, 2019; Accepted December 11, 2019; Published December 16, 2019

 

Abstract

Epilepsy is a chronic disorder characterized by disturbed tissue related molecular activity within the brain irrespective of age. The cause is very difficult to understand towards a suitable treatment. However, its symptoms like seizures are treated and suppressed by known medications. Moreover, the condition is linked with neuro-transmitters such as GABA (gamma amino butyric acid) and acetylcholine. Therefore, it is of interest to design and develop inhibitors for these targets. Hence, we describe the molecular binding features of timepidium with acetylcholine and lumacaftor with GABA(A) activator using molecular docking based geometric optimization and screening analysis for further consideration.

 

Keywords

Epilepsy, repurposing, docking, scoring, electrostatic interaction, seizures.

 

Citation

Ali & Shar, Bioinformation 15(11): 832-837 (2019)

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.