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计算机辅助逆合成,以实现酶-酶抑制剂活性制药成分的更绿色和最佳的总合成

Rodolfo I Teixeira1, Michael Andresini2, Renzo Luisi2

  • 1Department of Chemical Engineering, Loughborough University, Loughborough LE11 3TU, U.K.

JACS Au
|January 9, 2025
PubMed
概括

计算机辅助逆合成 (CAR) 显著改善了抗病毒药物IM-204的合成,产量从8%增加到35%,并降低了成本. 这种方法提高了药物开发的效率和可持续性.

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Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
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