藥物設(shè)計(jì)課件藥物設(shè)計(jì)原理和方法2拼合原理-資料下載頁(yè)
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【正文】 能誘導(dǎo)腫瘤 細(xì)胞凋亡，并能抑制腫瘤轉(zhuǎn)移。盡管目前尚不清楚釋放 NO的機(jī)制。 OOO M eO N O2ONC X 4 0 1 6Gastroenterology， 2021， 124： 600 NOOleanolic Acid： 本課題組陳莉等人基于 OA具有肝靶向性，用于治療慢性肝炎、肝硬化和肝腫瘤的特點(diǎn)，設(shè)計(jì)合成新型的 NOOA衍生物。 H OC O O HR 1 OC O O R 2R1OC O O R2O N O 2 Target Compounds I1 I7 R2OC O OR1R3O R4O N O 2Target Compounds Ⅱ 1 Ⅱ 9 R1OC O O R2NONR 3O?Target Compounds Ⅲ 1 Ⅲ 12 C HO C H 3C O OR1OC H C O O R2NONR3OTarget Compounds Ⅳ 1 Ⅳ 9 C O O R1O 2 N O R3O O C R2C O OTarget Compounds Ⅴ 1 Ⅴ 28 Target Compounds Ⅵ 1 Ⅵ 26 C O O R 1NONR4OR3O O C R2C O OTarget Compounds Ⅶ 1 Ⅶ 4 C O O HO O C ( H 2 C ) 2 C O ON H C N H 2XNTarget Compounds Ⅷ 1 Ⅷ 5 H OC O O R O NNNO Fig. 6 NO–release of some target pounds NOReleasing in vitro00 100 200 300 400minug/mlNCX1000II2II3III9VI3VI4VI9 Further NO release assay indicated that ZCVI4 released much more NO in cancer cell than in human liver cell. The results mentioned above have been patented, and intensive studies are in progress. ZCⅥ 4 was the most potent pound with IC50 of μM 167。 生物電子等排原理 Bioisosterism principles 電子等排（ isosterism）：最先是作為化學(xué)概念用來(lái)比較分子或基團(tuán)的相似性，通常認(rèn)為兩個(gè)分子之間若含有相同數(shù)目和相同排布的電子，則互為電子等排。
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