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Synthesis and structure-activity relationships for new 6-fluoroquinoline derivatives with antiplasmodial activity.
Bioorganic & Medicinal Chemistry ( IF 3.3 ) Pub Date : 2019-04-02 , DOI: 10.1016/j.bmc.2019.03.061 Patrick Hochegger 1 , Johanna Faist 1 , Werner Seebacher 1 , Robert Saf 2 , Pascal Mäser 3 , Marcel Kaiser 3 , Robert Weis 1
Bioorganic & Medicinal Chemistry ( IF 3.3 ) Pub Date : 2019-04-02 , DOI: 10.1016/j.bmc.2019.03.061 Patrick Hochegger 1 , Johanna Faist 1 , Werner Seebacher 1 , Robert Saf 2 , Pascal Mäser 3 , Marcel Kaiser 3 , Robert Weis 1
Affiliation
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The substitution of 6-fluoroquinolines was modified in ring positions 2 and 4. The new compounds were tested in vitro for their activities against a sensitive and a multidrug resistant strain of Plasmodium falciparum. Some physicochemical parametres were calculated (log P, log D, ligand efficiency) or determined experimentally (permeability). The most promising compounds were tested for their in vivo activity against Plasmodium berghei in a mouse model. The 6-fluoro-2-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-N-[2-(pyrrolidin-1-yl)ethyl]quinoline-4-carboxamide possessed proper physicochemical properties and showed high antiplasmodial activity in vitro (IC50 ≤ 0.0029 µM) and in vivo (99.6% activity).
中文翻译：
具有抗血浆活性的新型6-氟喹啉衍生物的合成与构效关系。
在环的2和4位上对6-氟喹啉的取代进行了修饰。体外测试了新化合物对恶性疟原虫敏感和多药耐药菌株的活性。一些物理化学参数被计算（log P，log D，配体效率）或通过实验确定（渗透率）。测试了最有前途的化合物在小鼠模型中针对伯氏疟原虫的体内活性。6-氟-2- {4-[（4-甲基哌嗪-1-基）甲基]苯基} -N- [2-（吡咯烷-1-基）乙基]喹啉-4-羧酰胺具有适当的理化性质并显示出在体外（IC50≤0.0029 µM）和体内（99.6％活性）具有很高的抗血浆活性。
更新日期：2019-04-02
中文翻译：
具有抗血浆活性的新型6-氟喹啉衍生物的合成与构效关系。
在环的2和4位上对6-氟喹啉的取代进行了修饰。体外测试了新化合物对恶性疟原虫敏感和多药耐药菌株的活性。一些物理化学参数被计算（log P，log D，配体效率）或通过实验确定（渗透率）。测试了最有前途的化合物在小鼠模型中针对伯氏疟原虫的体内活性。6-氟-2- {4-[（4-甲基哌嗪-1-基）甲基]苯基} -N- [2-（吡咯烷-1-基）乙基]喹啉-4-羧酰胺具有适当的理化性质并显示出在体外（IC50≤0.0029 µM）和体内（99.6％活性）具有很高的抗血浆活性。
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