Division of Molecular Biology and Microbiology, Burnett School of Biomedical Sciences, University of Central Florida, Orlando, FL 32826, USA.
Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port Saint Lucie, FL 34987, USA.
Molecules. 2019 Mar 20;24(6):1100. doi: 10.3390/molecules24061100.
The screening of more than 30 million compounds derived from 81 small molecule libraries built on 81 distinct scaffolds identified pyrrolidine bis-cyclic guanidine library (TPI-1955) to be one of the most active and selective antiplasmodial libraries. The screening of the positional scanning library TPI-1955 arranged on four sets of sublibraries (26 + 26 + 26 + 40), totaling 120 samples for testing provided information about the most important groups of each variable position in the TPI-1955 library containing 738,192 unique compounds. The parallel synthesis of the individual compounds derived from the deconvolution of the positional scanning library led to the identification of active selective antiplasmodial pyrrolidine bis-cyclic guanidines.
从 81 个不同骨架构建的 81 个小分子文库中筛选出超过 3000 万个化合物，结果表明吡咯烷双环胍文库（TPI-1955）是最活跃和选择性最强的抗疟化合物库之一。对 TPI-1955 文库的位置扫描文库进行筛选，该文库分为四组亚文库（26+26+26+40），总共测试了 120 个样本，提供了关于 TPI-1955 文库中每个变量位置最重要基团的信息，该文库包含 738192 个独特的化合物。通过对位置扫描文库的解卷积进行个别化合物的平行合成，鉴定出了具有活性的选择性抗疟吡咯烷双环胍。
