血凝蛋白
化学
恶性疟原虫
组合化学
生物信息学
还原胺化
抗疟药
立体化学
喹啉
对接(动物)
氯喹
药理学
药物发现
疟疾
生物化学
酶
有机化学
血红素
催化作用
医学
护理部
基因
免疫学
生物
作者
Fostino R. B. Bokosi,Richard M. Beteck,Mziyanda Mbaba,Thanduxolo E. Mtshare,Dustin Laming,Heinrich C. Hoppe,Setshaba D. Khanye
标识
DOI:10.1016/j.bmcl.2021.127855
摘要
Several classes of antimalarial drugs are currently available, although issues of toxicity and the emergence of drug resistant malaria parasites have reduced their overall therapeutic efficiency. Quinoline based antiplasmodial drugs have unequivocally been long-established and continue to inspire the design of new antimalarial agents. Herein, a series of mono- and bisquinoline methanamine derivatives were synthesised through sequential steps; Vilsmeier-Haack, reductive amination, and nucleophilic substitution, and obtained in low to excellent yields. The resulting compounds were investigated for in vitro antiplasmodial activity against the 3D7 chloroquine-sensitive strain of Plasmodium falciparum, and compounds 40 and 59 emerged as the most promising with IC50 values of 0.23 and 0.93 µM, respectively. The most promising compounds were also evaluated in silico by molecular docking protocols for binding affinity to the {0 0 1} fast-growing face of a hemozoin crystal model.
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