QSAR Studies of Biological Activity with Phenylpropyl Aldehyde Thiosemicarbazone Compounds
文献类型：期刊论文
| 作者 | Bi, Hui-Min1; Hu, Jun-Ping1; You, Fit-Ying1; Gao, Meng-Meng1; Dong, Chun-Hua1,2 |
| 刊名 | ASIAN JOURNAL OF CHEMISTRY
 |
| 出版日期 | 2014-09-01 |
| 卷号 | 26期号:18页码:5947-5950 |
| 关键词 | Phenylptopyl Aldehyde Thiosemicarbazone Structure-activity Relationships Quantum Chemistry |
| ISSN号 | 0970-7077 |
| 英文摘要 | We have selected 15 phenylpropyl aldehyde thiosemicarabazone compounds to study the structure-activity relationship. The theoretical parameters were calculated by HF method in 6-31g* level, The study finds that there are certain relevance between the antibacterial activity of the compounds and the HOMO and LUMO. The mechanism may be that the compounds receive electrons from the receptors when the compounds mixes with the receptors. Then We established mathematical correlation between the properties and bioactivity of these compounds. It could give some clues for further molecular designing to future workers. |
| 语种 | 英语 |
| WOS记录号 | WOS:000343955700009 |
| 出版者 | ASIAN JOURNAL OF CHEMISTRY |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/52741]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Bi, Hui-Min |
| 作者单位 | 1.Handan Coll, Handan Key Lab Organ Small Mol Mat, Handan 056002, Hebei, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Bi, Hui-Min,Hu, Jun-Ping,You, Fit-Ying,et al. QSAR Studies of Biological Activity with Phenylpropyl Aldehyde Thiosemicarbazone Compounds[J]. ASIAN JOURNAL OF CHEMISTRY,2014,26(18):5947-5950. |
| APA | Bi, Hui-Min,Hu, Jun-Ping,You, Fit-Ying,Gao, Meng-Meng,&Dong, Chun-Hua.(2014).QSAR Studies of Biological Activity with Phenylpropyl Aldehyde Thiosemicarbazone Compounds.ASIAN JOURNAL OF CHEMISTRY,26(18),5947-5950. |
| MLA | Bi, Hui-Min,et al."QSAR Studies of Biological Activity with Phenylpropyl Aldehyde Thiosemicarbazone Compounds".ASIAN JOURNAL OF CHEMISTRY 26.18(2014):5947-5950. |
入库方式： OAI收割
来源：化学研究所
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