Research Institute for Medicines and Pharmaceutical Sciences (iMed.UL), Faculty of Pharmacy, University of Lisbon, Av. Prof. Gama Pinto, 1649-019 Lisbon, Portugal.
Bioorg Med Chem. 2011 Nov 1;19(21):6302-8. doi: 10.1016/j.bmc.2011.09.004. Epub 2011 Sep 10.
Cytochrome bc(1) is a validated drug target in malaria parasites. The spread of Plasmodium falciparum strains resistant to multiple antimalarials emphasizes the urgent need for new drugs. We screened in silico the ZINC and MOE databases, using ligand- and structure-based approaches, to identify new leads for development. The most active compound presented an IC(50) value against cultured P. falciparum of 2 μM and a docking pose consistent with its activity.
细胞色素 bc(1) 是疟原虫中经证实的药物靶标。多种抗疟药物耐药的恶性疟原虫株的传播强调了开发新药的迫切需要。我们采用基于配体和结构的方法，在 ZINC 和 MOE 数据库中进行了计算机筛选，以确定新的先导化合物。最有效的化合物对培养的恶性疟原虫的 IC(50)值为 2 μM，且其对接构象与其活性一致。
