Abstract
A 3D quantitative structure-activity relationship study for inhibition of calcium-sensing receptor in the aryloxypropanolamine series predicted that these molecules adopt a U-shaped conformation with pi-stacking between the two aromatic rings. This hypothesis led to the discovery of novel 1-arylmethyl pyrrolidin-2-yl ethanol amines capable of antagonizing the calcium-sensing receptor with potency comparable to that of NPS-2143.
MeSH terms
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Ethanolamines / chemical synthesis
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Ethanolamines / chemistry
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Ethanolamines / pharmacology
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Humans
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Models, Molecular
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Molecular Conformation
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Osteoporosis / drug therapy
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Protein Conformation
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Pyrrolidines / chemical synthesis
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Pyrrolidines / chemistry
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Pyrrolidines / pharmacology
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Receptors, Calcium-Sensing / antagonists & inhibitors*
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Receptors, Calcium-Sensing / chemistry
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Structure-Activity Relationship
Substances
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Ethanolamines
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Pyrrolidines
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Receptors, Calcium-Sensing