Leban Johann, Pegoraro Stefano, Dormeyer Matthias, Lanzer Michael, Aschenbrenner Andrea, Kramer Bernd
4SC AG, Am Klopferspitz 19a, 82152 Martinsried, Germany.
Bioorg Med Chem Lett. 2004 Apr 19;14(8):1979-82. doi: 10.1016/j.bmcl.2004.01.083.
The high throughput in silico screening of a virtual library into the structure of the P. falciparum lactate dehydrogenase (LDH) with the 4SCan technology yielded a series of biphenyl urea compounds. These were chemically optimized to a new structural class of potent antimalarial agents. The compounds did not inhibit plasmodium LDH enough to fully explain their potency. Therefore we conclude that an unknown mode of action may be the cause of the antimalarial activity.
利用4SCan技术对疟原虫乳酸脱氢酶（LDH）结构进行虚拟文库的高通量计算机筛选，得到了一系列联苯脲化合物。这些化合物经过化学优化，成为一类新型强效抗疟药。这些化合物对疟原虫LDH的抑制作用不足以充分解释它们的效力。因此，我们得出结论，未知的作用模式可能是其抗疟活性的原因。
