Key result
Computational modeling identified 1,4-benzothiazin-3-one as a promising scaffold for developing new KCa3.1 channel modulators.
Why the study?
Recent cryo-EM analysis provides new insights to understand KCa3.1 channel modulation by endogenous and pharmacological agents.
Computational modeling identified 1,4-benzothiazin-3-one as a promising scaffold for developing new KCa3.1 channel modulators.
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Structural insights into KCa3.1 may inform KCO design; leaves open clinical translation in secretory disorders.
The human intermediate conductance calcium-activated potassium channel, KCa3.1, is involved in several pathophysiological conditions playing a critical role in cell secretory machinery and calcium signalling. The recent cryo-EM analysis provides new insights for understanding the modulation by both endogenous and pharmacological agents. A typical feature of this channel is the low open probability in saturating calcium concentrations and its modulation by potassium channel openers (KCOs), such as benzo imidazolone 1-EBIO, without changing calcium-dependent activation. In this paper, we proposed a model of KCOs action in the modulation of channel activity. The KCa3.1 channel has a very rich pharmacological profile with several classes of molecules that selectively interact with different binding sites of the channel. Among them, benzo imidazolones can be openers (positive modulators such as 1-EBIO, DC-EBIO) or blockers (negative modulators such as NS1619). Through computation modelling techniques, we identified the 1,4-benzothiazin-3-one as a promising scaffold to develop new KCa3.1 channel modulators. Further studies are needed to explore the potential use of 1-4 benzothiazine- 3-one in KCa3.1 modulation and its pharmacological application.
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Manfroni et al. (2020) studied this question. 1,4-benzothiazin-3-one was evaluated. Computational modeling identified 1,4-benzothiazin-3-one as a promising scaffold for developing new KCa3.1 channel modulators.
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