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lgq101

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We have synthesized a library of 190 polycyclic, alkaloid/terpenoid-like small molecules using solid-phase transition metalmediated cycloaddition and cyclization reactions of relatively simple enyne and diyne substrates. The key sulfinamide lynchpin was also diversified to the corresponding free amines and sulfonamides. Translation to solid-phase synthesis using a TBDAS linker was greatly facilitated by the use of a TBDPS surrogate during earlier solution-phase studies. Principal component analysis of structural and physicochemical parameters indicates that this library samples regions of chemical space that overlap with bona fide natural products and are distinct from those areas accessed by conventional drugs and drug-like libraries. Aromatic ring content and stereochemical complexity were identified as two major factors that distinguish natural products from synthetic drugs. The complete set of 190 compounds is now being screened in a variety of assays at The Rockefeller University High-Throughput Screening Resource Center. In addition, 94 compounds have been submitted for broad screening in the National Institutes of Health (NIH) Molecular Libraries Program . These efforts will provide critical data to evaluate the biological properties of this library and to assess the abilities of natural product-based libraries to address challenging biological targets that remain intractable to conventional drug-like molecules.

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1樓 2011-06-01 23:33:41

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lgq101(金幣+30, 翻譯EPI+1): 謝謝 2011-06-02 09:55:59

We have synthesized a library of 190 polycyclic, alkaloid/terpenoid-like small molecules using solid-phase transition metal mediated cycloaddition and cyclization reactions of relatively simple enyne and diyne substrates.我們以相對簡單的烯炔和二炔為底物，通過固相過渡金屬媒介環(huán)加成和環(huán)合反應(yīng)構(gòu)建了包括190種多環(huán)、生物堿/類萜樣小分子的文庫。 The key sulfinamide lynchpin was also diversified to the corresponding free amines and sulfonamides. 關(guān)鍵的亞磺酰胺也隨相應(yīng)的游離胺和磺酰胺類的不同而多樣化。Translation to solid-phase synthesis using a TBDAS linker was greatly facilitated by the use of a TBDPS surrogate during earlier solution-phase studies.使用在先前的液相研究中的TBDPS代用品，促進(jìn)了利用TBDAS linker實(shí)現(xiàn)向固相合成的轉(zhuǎn)換。 Principal component analysis of structural and physicochemical parameters indicates that this library samples regions of chemical space that overlap with bona fide natural products and are distinct from those areas accessed by conventional drugs and drug-like libraries. 結(jié)構(gòu)和物理化學(xué)參數(shù)的主成分分析標(biāo)明，這一文庫與真實(shí)的天然產(chǎn)物在化學(xué)空間區(qū)域上有重疊，而與由傳統(tǒng)的藥物或藥物樣文庫獲取的區(qū)域截然不同。Aromatic ring content and stereochemical complexity were identified as two major factors that distinguish natural products from synthetic drugs. 芳環(huán)含量和立體化學(xué)復(fù)雜度是兩個(gè)區(qū)分天然產(chǎn)物和合成藥物的主要因素。The complete set of 190 compounds is now being screened in a variety of assays at The Rockefeller University High-Throughput Screening Resource Center. 整套190種化合物現(xiàn)在在洛克菲勒大學(xué)高通量篩選資源中心接受各種各樣的篩選試驗(yàn)。In addition, 94 compounds have been submitted for broad screening in the National Institutes of Health (NIH) Molecular Libraries Program . 此外，其中的94種化合物還提交給NIH分子文庫項(xiàng)目進(jìn)行更廣泛的篩選。These efforts will provide critical data to evaluate the biological properties of this library and to assess the abilities of natural product-based libraries to address challenging biological targets that remain intractable to conventional drug-like molecules.這些努力將提供必要的數(shù)據(jù)，以評價(jià)這一文庫中化合物的生物學(xué)性能和評估基于天然產(chǎn)物的文庫在應(yīng)對傳統(tǒng)藥物樣分子無法處理的生物靶標(biāo)方面的能力。

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2樓2011-06-02 08:28:00

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