Identification of Novel Drug Leads for Receptors Implicated in Migraine from Traditional Ayurvedic Herbs Using in silico and in vitro Methods
|Preenon Bagchi1,3,5*, Venkatramana DK2, Mahesh M1,5, Somashekhar R1,3,5 and Ajit Kar4,5|
|1Azyme Biosciences Pvt. Ltd., Bangalore, Karnataka, 560069, India|
|2Bhat Biotech India Pvt. Ltd., Bangalore, Karnataka 560100, India|
|3Career Point University, Kota, Rajasthan 324005, India|
|4Satsang Herbal Research Laboratory, Satsang, Deoghar, Jharkhand 814116, India|
|5Sarvasumana Association, Bangalore, Karnataka, 560069, India|
|Corresponding Author :||Preenon Bagchi
Azyme Biosciences Pvt. Ltd., Bangalore
Karnataka, 560069, India
E-mail: [email protected]
|Received August 06, 2014; Accepted October 19, 2014; Published October 21, 2014|
|Citation: Bagchi P, Venkatramana DK, Mahesh M, Somashekhar R, Kar A (2014) Identification of Novel Drug Leads for Receptors Implicated in Migraine from Traditional Ayurvedic Herbs Using in silico and in vitro Methods. J Neurol Disord 2:185. doi: 10.4172/2329-6895.1000185|
|Copyright: © 2014 Bagchi P, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.|
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Background: Migraine is a chronic neurological disorder characterized by headaches along with several physiological and autonomic nervous system symptoms. Research suggests that migraine is a result of multi-gene mutation in combination with psycho-social and environmental factors.
Methods: Mutated mammalian serotonin hydroxytryptamine receptor 2 (HTR2) implicated as factor causing migraine were retrieved from the National Centre for Biotechnology Information (NCBI), its 3D structure were determined by homology modelling. The 3D structures of phyto-compounds (from Ayurvedic herbs) were retrieved from various databases. The pharmacophore hypothesis was generated for the existing ligands and the phytocompounds were screened against the generated pharmocophoric hypothesis. Ligands were shortlisted based on their fitness score. The selected phytocompounds were screened against HTR2 receptor.
Results: The phytocompound having the best docking score and most interactions with the receptor are validated using receptor-ligand binding assay studies with HTR2 receptor in-vitro.
Conclusion: Phytocompounds selected as per receptor-ligand binding assay studies.