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21.
设计合成了新的甲氨蝶呤(methotrexate, MTX)衍生物1~4, 在这些新化合物中, 将MTX分子中10-位对氨基苯甲酰谷氨酸砌块移植到4-位, 同时在6-位引入苯环芳香基以及甲基等基团. 生物活性测试结果显示, 化合物1~4具有与MTX相似的抑制iNOS活性的作用; 相对于MTX, 选测的化合物2和4明显地增强了抑制K-562白血病细胞株生长的活性. 本研究为进行MTX的结构修饰开辟了新途径, 2-氨基-4-[N-(对氨基苯甲酰谷氨酸)-基]-6-取代基蝶啶衍生物可成为潜在的抗肿瘤候选药物被进一步研究. 相似文献
22.
磺酰脲类除草剂的三维药效团模型 总被引:3,自引:0,他引:3
磺酰脲类除草剂是七十年代末期[1,2]开发的一类超高效除草剂,杀草谱广,用量极低.它通过抑制植物体内乙酰乳酸合成酶(ALS,acetolactatesynthase)的活性[3],破坏支链氨基酸缬氨酸、亮氨酸和异亮氨酸的合成,造成杂草的死亡.本文从三维角度出发,利用先进的三维分子设计软件APEX(ActivityPredictionExpertSystem)-3D[4],建立破酸豚类除草剂药效团模型(biophoremodel),辅助设计、筛选活性化合物;再由药效团构造出模拟ALS酶活性位点(activesites)的空间结构,以该模拟结构为基点,以期设计出全新结构的ALS酶抑制剂的… 相似文献
23.
在AHAS与磺酰脲类除草剂复合物的晶体结构基础上, 利用分子对接程序DOCK 4.0, 通过MDL/ACD三维数据库虚拟筛选, 得到了296个与AHAS结合能较低的小分子化合物结构信息, 从中选取了部分小分子进行化学合成, 并且测试了其生物活性. 部分化合物的体内和体外活性表现出一定的一致性. 相似文献
24.
《Angewandte Chemie (International ed. in English)》2017,56(4):1146-1151
8‐demethyl‐8‐aminoriboflavin‐5′‐phosphate (AFP) synthase (RosB) catalyzes the key reaction of roseoflavin biosynthesis by forming AFP from riboflavin‐5′‐phosphate (RP) and glutamate via the intermediates 8‐demethyl‐8‐formylriboflavin‐5′‐phosphate (OHC‐RP) and 8‐demethyl‐8‐carboxylriboflavin‐5′‐phosphate (HO2C‐RP). To understand this reaction in which a methyl substituent of an aromatic ring is replaced by an amine we structurally characterized RosB in complex with OHC‐RP (2.0 Å) and AFP (1.7 Å). RosB is composed of four flavodoxin‐like subunits which have been upgraded with specific extensions and a unique C‐terminal arm. It appears that RosB has evolved from an electron‐ or hydride‐transferring flavoprotein to a sophisticated multi‐step enzyme which uses RP as a substrate (and not as a cofactor). Structure‐based active site analysis was complemented by mutational and isotope‐based mass‐spectrometric data to propose an enzymatic mechanism on an atomic basis. 相似文献
25.
After the cultured cells from Hyoscyamus muticus + Nicotiana tabacum somatic hybridswere cocultivated with different virulent strains of Agrobacterium tumefaciens harboringoctopine- type Ti plasmid or nopaline- type Ti plasmid using the transformation procedurein vitro developed in the present investigation, the TiT- DNA genes were introducedinto the host cells. The onc genes and ocs or nos genes located on TiT- DNA were expres-sed in transformed colonies derived from the cocultivated cells. Although the platingefficiencies of recipient cells were reduced by the agrobacterial treatment, the frequenciesof phytohormone autotrophy ranged from 33.9 to 76 .8% in the cells infected with viru-lent strains in hormone- free conditions, and the frequencies of opine synthase activityamounted to 9.7- 47 .5%. Teratomatous shoots were regenerated from the transformed col-onies. During the course of culture the shoots were no longer to lengthen when theygrew up to 1 -3 cm in length, and they could not be rooted. Follo 相似文献
26.
Yan Ling Lia Hao Fang 《中国化学快报》2008,(5)
As an important intermediate to study cyclin-dependent kinase(CDK)inhibitors,2-aryl-8-(piperidin-4-yl)-5,7-dimethoxy-4H- chromen-4-one derivatives were prepared usingβ-diketone route with low yield.In our study,chalcone route has been investigated and the result suggested that the benzaldehydes substituted with electron-donating group give much better yield thanβ-diketone route.This new method will be an efficient way to start further research on new anticancer flavonoids. 相似文献
27.
Shang Wu Hongheng Yu Qinzheng Hu Quanlu Yang Shouwang Xu Tian Liu 《Tetrahedron letters》2017,58(51):4763-4765
A silver-catalyzed decarboxylative cross-coupling of α-keto acids with alkenes is reported. The method, with a wide range of substrate tolerance and mild operational conditions, can produce various chalcone derivatives in moderate to high yields from easily available starting materials. 相似文献
28.
利用~1H NMR、紫外吸收光谱和荧光光谱等方法考察了七元瓜环(Q[7])对2'-羟基查尔酮(CET)的包结作用.结果表明,Q[7]与CET形成了摩尔比为1∶1的包结配合物,紫外吸收光谱和荧光光谱测得的结合稳定常数分别为1.0248×10~6和1.253×10~6.相溶解度法研究结果表明,当Q[7]的浓度为1×10~(-3)mol/L时,可使CET在水中的溶解度增加52倍.紫外吸收光谱随时间变化的研究结果表明,Q[7]使CET的稳定性增加3.5倍.采用体外抗氧化活性测定(ABTS法)考察了Q[7]对CET抗氧化活性的影响,发现CET@Q[7]包结配合物以及游离CET均对ABTS自由基有较好的清除作用.IC50值分别为3.4×10~(-5)和2.4×10~(-5)mol/L,表明Q[7]不仅能增加CET的溶解性和稳定性,同时对CET抗氧化活性的影响不大. 相似文献
29.
Yang Y Nie W Yuan J Zhang B Wang Z Wu Z Guo Y 《Experimental & molecular medicine》2010,42(11):768-776
Deregulation of endothelial nitric oxide synthase (eNOS) plays an important role in the development of multiple cardiovascular diseases. Our recent study demonstrated that genistein supplementation attenuates pulmonary arterial hypertension in broilers by restoration of endothelial function. In this study, we investigated the molecular mechanism by using broiler pulmonary arterial endothelial cells (PAECs). Our results showed that genistein stimulated a rapid phosphorylation of eNOS at Ser(1179) which was associated with activation of eNOS/NO axis. Further study indicated that the activation of eNOS was not mediated through estrogen receptors or tyrosine kinase inhibition, but via a phosphatidylinositol 3-kinase (PI3K)/Akt-dependent signaling pathway, as the eNOS activity and related NO release were largely abolished by pharmacological inhibitors of PI3K or Akt. Thus, our findings revealed a critical function of Akt in mediating genistein-stimulated eNOS activity in PAECs, partially accounting for the beneficial effects of genistein on the development of cardiovascular diseases observed in animal models. 相似文献
30.
<正>A series of new optically active poly(amide-imide)s were synthesized by direct polycondensation reaction of 4,4'-diaminochalcone with several N-trimellitylimido-L-amino acids using a tosyl chloride(TsCl),pyridine(Py) and dimethylformamide(DMF) system as condensing agent.The resulting thermally stable poly(amide-imide)s were obtained in good to high yields and inherent viscosities ranging between 0.35 dL/g and 0.58 dL/g and were characterized with FTIR, ~1H-NMR,CHN,Ultraviolet,TGA and DTG techniques. 相似文献