Pharmacoinformatics elucidation of potential drug targets against migraine to target ion channel protein KCNK18.

ABSTRACT: Migraine, a complex debilitating neurological disorder is strongly associated with potassium channel subfamily K member 18 (KCNK18). Research has emphasized that high levels of KCNK18 may be responsible for improper functioning of neurotransmitters, resulting in neurological disorders like migraine. In the present study, a hybrid approach of molecular docking and virtual screening were followed by pharmacophore identification and structure modeling. Screening was performed using a two-dimensional similarity search against recommended migraine drugs, keeping in view the physicochemical properties of drugs. LigandScout tool was used for exploring pharmacophore properties and designing novel molecules. Here, we report the screening of four novel compounds that have showed maximum binding affi

SUBMITTER: Sehgal SA 

PROVIDER: S-EPMC4038526 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature