| Ab Initio Study on the Anti-HIV Activities of Hydroxyflavones |
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| 作者姓名： | ZHANG Yu① |
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| 作者单位： | College of Chemistry and Engineering，Inner Mongolia University of Science and Technique，Qingshan District，Baotou 014030，China |
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| 摘 要： | 1 INTRODUCTION AIDS, in other words, Acquired Immunodefici-encysyndrome, is a viral contagious disease withhigh death rate. However, effective treatment againstit has not appeared so far. At present, about 100kinds of natural compounds that could be extractedfrom natural products or artificially synthesized havebeen found to have anti-HIV activities to some ex-tent. They belong to flavonoid, terpenoid, steroid, cou-marin, peptide, alkaloid etc., respectively. Previousstudies show that…
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| 关 键 词： | 抗艾滋病病毒活性 羟基黄酮 药物 化学键 化学结构 |
Ab Initio Study on the Anti-HIV Activities of Hydroxyflavones |
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| ZHANG Yu.Ab Initio Study on the Anti-HIV Activities of Hydroxyflavones[J].Chinese Journal of Structural Chemistry,2005,24(4):462-466. |
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| Authors: | ZHANG Yu |
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| Institution: | College of Chemistry and Engineering, Inner Mongolia University of Science and Technique, Qingshan District, Baotou 014030, China |
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| Abstract: | Flavone and 95 hydroxyflavones have been studied with ab initio method, and their total energies, atomic charges, dipole moments, multipole moments, molecular orbital compositions,orbital energies etc. were obtained. Among them the relationship between total atomic charges and activities against HIV is basically in accordance with the experimental results. The beneficial references are provided for the extraction and synthesis of strong active anti-HIV medicines. |
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| Keywords: | ab initio hydroxyflavones AIDS activity |
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