Structural determinants of steroids for cytochrome P450 3A4-mediated metabolism
文献类型：期刊论文
| 作者 | Wang, YH; Han, KL; Yang, SL; Yang, L |
| 刊名 | journal of molecular structure-theochem
 |
| 出版日期 | 2004-11-26 |
| 卷号 | 710期号:1-3页码:215-221 |
| 关键词 | CYP3A4 steroids pharmacophore modeling E-state map |
| 产权排序 | 1;1 |
| 英文摘要 | cytochrome p450 3a4 (cyp3a4), a major member of cytochrome p450 isoenzymes, metabolizes the majority of steroids in 6beta-position. for the purpose of determining requisite structural features of a series of structurally related steroids for cyp3a4-mediated metabolism, three-dimensional pharmacophore modeling as well as electrotopological state map were conducted for 15 steroids. though prior studies speculated that the chemical reactivity of the allylic 6beta-position might have a greater influence on cyp3a4 selective 6-hydroxylation than steric constraints in the enzyme, our results reveal that for cyp3a4 steroidal substrates, it is not the chemical reactivity of atoms at 6beta-site, but the pharmacophoric features, i.e. the two hydrophobic rings together with two h-bond donors, that act as the key factors responsible for detemining the cyp3a4 selective 6-hydroxylation of steroids. (c) 2004 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | 3a4 ; identification ; specificity ; activation ; estrone |
| 收录类别 | SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000225895900028 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/81081]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, Grad Sch, Lab Pharmaceut Resource Discovery, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Grad Sch, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, YH,Han, KL,Yang, SL,et al. Structural determinants of steroids for cytochrome P450 3A4-mediated metabolism[J]. journal of molecular structure-theochem,2004,710(1-3):215-221. |
| APA | Wang, YH,Han, KL,Yang, SL,&Yang, L.(2004).Structural determinants of steroids for cytochrome P450 3A4-mediated metabolism.journal of molecular structure-theochem,710(1-3),215-221. |
| MLA | Wang, YH,et al."Structural determinants of steroids for cytochrome P450 3A4-mediated metabolism".journal of molecular structure-theochem 710.1-3(2004):215-221. |
入库方式： OAI收割
来源：大连化学物理研究所
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