Title : 1,3-Propanediol binds inside the water-conducting pore of aquaporin 4: Does this efficacious inhibitor have sufficient potency?

Pub. Date : 2016

PMID : 27213050






3 Functional Relationships(s)
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1 1,3-Propanediol binds inside the water-conducting pore of aquaporin 4: Does this efficacious inhibitor have sufficient potency? 1,3-propanediol aquaporin 4 Homo sapiens
2 We compute the binding affinities of 1,2-ethanediol (EDO) and 1,3-propanediol (PDO) inside the AQP4 conducting pore and identify the specificities of the interactions. 1,3-propanediol aquaporin 4 Homo sapiens
3 Considering the fact that PDO is classified by the US Food and Drug Administration as generally safe, we predict that 1,3-propanediol could be an effective drug for brain edema and other AQP4-correlated neurological conditions. 1,3-propanediol aquaporin 4 Homo sapiens