Ekins Sean, Freundlich Joel S
Collaborations in Chemistry, Fuquay Varina, NC, USA.
Methods Mol Biol. 2013;993:245-62. doi: 10.1007/978-1-62703-342-8_16.
The search for small molecules with activity against Mycobacterium tuberculosis increasingly uses -high-throughput screening and computational methods. Previously, we have analyzed recent studies in which computational tools were used for cheminformatics. We have now updated this analysis to illustrate how they may assist in finding desirable leads for tuberculosis drug discovery. We provide our thoughts on strategies for drug discovery efforts for neglected diseases.
对具有抗结核分枝杆菌活性的小分子的寻找越来越多地采用高通量筛选和计算方法。此前,我们分析了近期使用计算工具进行化学信息学研究的情况。现在,我们更新了这一分析,以说明这些工具如何有助于为结核病药物研发找到理想的先导化合物。我们就针对被忽视疾病的药物研发工作策略发表了看法。