三萜类化合物作为细胞保护性酶诱导剂和细胞炎症反应抑制剂的效力排名，通过它们的电子亲和力和电亲性指数。
Potency ranking of triterpenoids as inducers of a cytoprotective enzyme and as inhibitors of a cellular inflammatory response via their electron affinity and their electrophilicity index.
机构信息
Muséum National d'Histoire Naturelle, Molécules de Communication et Adaptation des Microorganismes, Paris, France.
出版信息
Chem Biol Interact. 2010 Jul 30;186(2):118-26. doi: 10.1016/j.cbi.2010.04.026. Epub 2010 Apr 28.
Electron affinity (EA) and electrophilicity index (omega) of 16 synthetic triterpenoids (TP), previously identified as inducers of cytoprotective enzymes and as inhibitors of cellular inflammatory responses, have been calculated by the molecular orbital method. Linear correlations were obtained by plotting the values of EA, as well as those of omega versus (i) the potencies of induction of NAD(P)H quinone reductase (NQO1, EC 1.6.99.2), a cytoprotective enzyme, expressed via the concentration of TP required to double the specific activity of NQO1 (CD value) and (ii) the values of their anti-inflammatory activity expressed via the IC-50 of TP for suppression of upregulation of inducible nitric oxide synthase (iNOS, EC 1.14.13.39), both previously experimentally determined. The observed correlations demonstrate quantitatively for a series of triterpenoids that their electrophilicity is a major factor determining their potency as inducers of the cytoprotective phase 2 response and as inhibitors of inflammatory processes.
电子亲合能（EA）和 16 种合成三萜（TP）的亲电指数（ω）已通过分子轨道法进行了计算，这些三萜先前被鉴定为细胞保护性酶的诱导剂和细胞炎症反应的抑制剂。通过绘制 EA 值和 ω 值与以下各项的关系图，得出了线性相关性：（i）需要 TP 浓度加倍 NQO1（NAD（P）H 醌还原酶，EC 1.6.99.2）的特异性活性（CD 值），以表达诱导的 NAD（P）H 醌还原酶（NQO1）的细胞保护酶的效力；（ii）通过三萜对诱导型一氧化氮合酶（iNOS，EC 1.14.13.39）的上调抑制作用的 IC-50 来表达的抗炎活性值。实验之前已经确定了这两个值。观察到的相关性定量地证明了一系列三萜的亲电性是决定其作为细胞保护性第二期反应诱导剂和炎症过程抑制剂的效力的主要因素。
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