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首页> 外文期刊>Journal of Medicinal Chemistry >Predicting the Cell Differentiation Activity of 1α,25-Dihydroxyvitamin D3 Side Chain Analogues from Docking Simulations
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Predicting the Cell Differentiation Activity of 1α,25-Dihydroxyvitamin D3 Side Chain Analogues from Docking Simulations

机译:通过对接模拟预测1α,25-二羟基维生素D3侧链类似物的细胞分化活性

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摘要

We present a receptor-based protocol for the prediction of the cell differentiation activities of a series of side chain analogues of 1,25-dihydroxyvitamin D3, a compound that exhibits a very large variety of biological functions. Our protocol is able to reproduce the activity of the compounds studied here. It also sheds light on the relative importance of binding site residues in the biological activity and on the mechanism behind it.
机译:我们提出了一种基于受体的协议,用于预测一系列的1,25-二羟基维生素D3侧链类似物的细胞分化活性,该化合物具有多种生物学功能。我们的协议能够复制此处研究的化合物的活性。它还阐明了结合位点残基在生物活性中的相对重要性及其背后的机理。

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