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Polypharmacology Approach Against Migraine with Aura and Brain Edema for the Development of an Efficient Inhibitor and its Analogues.
- Source :
-
Current computer-aided drug design [Curr Comput Aided Drug Des] 2018; Vol. 14 (4), pp. 385-390. - Publication Year :
- 2018
-
Abstract
- Background: Polypharmacology is a design or use of pharmaceutical agents in which single drug is used to treat multiple diseases. Aquaporin proteins are identified to treat migraine with aura and brain edema. This study focuses on Aquaporin-1 and Aquaporin-4. AQP-1 is expressed in small afferent sensory nerve fibers. Over-expression of peripheral nervous system causes migraine.<br />Methods: AQP-4 is an abundant channel water protein in brain that regulates water transport to prevent homeostasis. Over-expression of AQP-4 contributes to water imbalance in ischemic pathology resulting in cerebral edema. Purpose of this study is to identify a potent inhibitor for the treatment of migraine with aura and brain edema.<br />Results: As in the recent studies, no conventional methodologies have been focused through the approach of polypharmacology. Structures of AQP-1 and AQP- 4 proteins were retrieved from PDB (Protein Data Bank). PyRx software was used to perform molecular docking.<br />Conclusion: Analogues of ligands were analyzed which contained significant similarities of associated proteins to get efficient inhibitor. Toxicity of lead compound was measured through admetSAR. A lead compound was predicted to treat these diseases.<br /> (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.)
- Subjects :
- Aquaporin 1 chemistry
Aquaporin 1 metabolism
Aquaporin 4 chemistry
Aquaporin 4 metabolism
Brain Edema metabolism
Humans
Ligands
Migraine with Aura metabolism
Models, Molecular
Molecular Docking Simulation
Aquaporin 1 antagonists & inhibitors
Aquaporin 4 antagonists & inhibitors
Brain Edema drug therapy
Drug Discovery methods
Migraine with Aura drug therapy
Polypharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 1875-6697
- Volume :
- 14
- Issue :
- 4
- Database :
- MEDLINE
- Journal :
- Current computer-aided drug design
- Publication Type :
- Academic Journal
- Accession number :
- 29756582
- Full Text :
- https://doi.org/10.2174/1573409914666180514092618