化学空间
药物发现
组合化学
生化工程
化学
计算生物学
小分子
生物活性
纳米技术
生物化学
生物
材料科学
体外
工程类
作者
Anastasiia Afanasenko,Xiang-Ping Wu,Alessandra DeSanti,Walid A. M. Elgaher,Andreas M. Kany,Roya Shafiei,Marie-Sophie Schulze,Thomas F. Schulz,Jörg Haupenthal,A. Hirsch,Katalin Barta
标识
DOI:10.26434/chemrxiv-2022-b6rn4
摘要
The structural complexity of renewable resources offers remarkable opportunities for the environmentally friendly manufacturing of essential pharmaceuticals, yet this has not been adequately addressed due to the lack of suitable methods. Our here described approach to drug discovery, builds on the innate structural features of the aromatic moiety of lignin to enable green pathways to various classes of biologically active molecules of the core dopamine structure. The catalytic transformations are atom-economic, produce only harmless side-products and use benign reaction media, including tunable deep eutectic solvents for modulating reactivity in challenging cyclization steps. Biological screening and chemical similarity searches identified promising anti-infective, anti-inflammatory, and anticancer activities. The frontrunners show outstanding metabolic stability and in vivo activity against Streptococcus pneumoniae infection, highlighting the power of our strategy.
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