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.
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.
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.
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.