Title : Removal of hERG potassium channel affinity through introduction of an oxygen atom: Molecular insights from structure-activity relationships of strychnine and its analogs.

Pub. Date : 2018 Dec 1

PMID : 30282042






3 Functional Relationships(s)
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1 Removal of hERG potassium channel affinity through introduction of an oxygen atom: Molecular insights from structure-activity relationships of strychnine and its analogs. Oxygen ETS transcription factor ERG Homo sapiens
2 Compared to their parent compounds, only an oxygen atom was introduced in the nitrogen oxidative isoforms to compensate for the N+ - charge, suggesting that the protonated nitrogen is the key group for strychnine and brucine binding to hERG channel. Oxygen ETS transcription factor ERG Homo sapiens
3 This study suggests that introduction of an oxygen to compensate for the N+ - charge could be a useful strategy for reducing hERG potency and increasing the safety margin of alkaloid-type compounds in drug development. Oxygen ETS transcription factor ERG Homo sapiens