首页> 外文期刊>Indian Journal of Chemistry. Section B, Organic Including Medicinal >Role of array of oxygen atoms of artemisinin in the antimalarial activity: Part Ⅰ—Molecular modelling studies to investigate compounds with artemisinin-like array of oxygen atoms
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Role of array of oxygen atoms of artemisinin in the antimalarial activity: Part Ⅰ—Molecular modelling studies to investigate compounds with artemisinin-like array of oxygen atoms

机译:青蒿素氧原子阵列在抗疟疾活性中的作用:第一部分-分子模型研究研究具有青蒿素样氧原子阵列的化合物

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摘要

The energy-minimised conformers of compounds 15 to 40 have been built on the computer using QUANTA and CHARMm softwares and compared with artemisinin (1) for similarities in the stereochemical disposition of oxygen atoms. The distances between oxygen atoms in these compounds and in 1, and the closeness of the fit of each individual compound with 1 have been tabulated. Photographs of the raster displays of the compounds exhibiting best fit are presented.
机译:已使用QUANTA和CHARMm软件在计算机上构建了化合物15至40的能量最低构象体,并与青蒿素(1)进行了氧原子立体化学处理方面的相似性比较。这些化合物中和1中氧原子之间的距离以及每种化合物与1的拟合紧密度已制成表格。提供了显示最佳拟合的化合物的光栅显示照片。

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