94088-47-8Relevant articles and documents
Anti-hepatitis c virus compound and its preparation method and application
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Paragraph 0093; 0123; 0124; 0125; 0126, (2016/10/07)
The invention provides an anti-hepatitis C virus compound, a preparation method and an application thereof. The compound is the compound shown in a formula I or a stereisomer, a geometric isomer and a tautomer of the compound shown in the formula I, wherein R1 and R2 are respectively and independently selected from hydrogen, formyl group, benzoyl group and C1-C3 straight chain or branched chain alkyl group, and R1 and R2 can not be hydrogen at the same time. The compound has good lipid solubility and physical and chemical property, and bioavailability and effect in-vivo can be obviously increased.
Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach
Ni, Shuaishuai,Yuan, Yaxia,Huang, Jin,Mao, Xiaona,Lv, Maosheng,Zhu, Jin,Shen, Xu,Pei, Jianfeng,Lai, Luhua,Jiang, Hualiang,Li, Jian
supporting information; experimental part, p. 5295 - 5298 (2010/02/28)
This work describes an integrated approach of de novo drug design, chemical synthesis, and bioassay for quick identification of a series of novel small molecule cyclophilin A (CypA) inhibitors (1-3). The activities of the two most potent CypA inhibitors (3h and 3i) are 2.59 and 1.52 nM, respectively, which are about 16 and 27 times more potent than that of cyclosporin A. This study clearly demonstrates the power of our de novo drug design strategy and the related program LigBuilder 2.0 in drug discovery.