摘要
恰加斯病是一种传染性热带病,属于一种被忽视的热带病。尽管从历史上讲是拉丁美洲的地方病,但由于人类的迁徙,它最近已传播到高收入国家。目前,只有两种可用药物尼古丁酮和苯硝唑被批准用于这种治疗,它们都具有相当大的副作用(通常会导致治疗中断),并且在成人慢性疾病中疗效有限。药物重新定位涉及发现已知药物的新治疗适应症,包括已批准,撤销,放弃和研究用药物。由于适应症的转移是建立在现有安全性,ADME和制造信息的基础上的,因此今天它已成为开发创新药物的一种广泛应用的方法,从而大大缩短了开发时间。药物重新定位已成为一种特别有趣的策略,用于寻找被忽视和罕见疾病的新治疗方案,传统上,这种解决方案的商业兴趣有限,并且大多由公共部门以及非营利性计划和组织提供。在这里,我们回顾了计算机辅助技术在查加斯病领域中作为药物重新定位的系统方法的应用。计算机筛选是最受探索的方法,而其他合理方法(例如基于网络和基于签名的近似方法)尚未应用。
关键词: 药物再利用,药物重新定位,计算机筛查,虚拟筛查,恰加斯病,克鲁斯锥虫。
[http://dx.doi.org/10.1007/s12410-016-9394-9]
[http://dx.doi.org/10.1016/j.ejim.2017.05.001] [PMID: 28502864]
[http://dx.doi.org/10.1177/1757913916671160] [PMID: 27758973]
[http://dx.doi.org/10.1371/journal.pmed.1000030] [PMID: 19192946]
[http://dx.doi.org/10.1590/S0074-02762002000100001] [PMID: 11992141]
[http://dx.doi.org/10.2174/1568026616666160216154309] [PMID: 26881713]
[http://dx.doi.org/10.1021/jm5006463] [PMID: 24946140]
[http://dx.doi.org/10.1021/ml300114c] [PMID: 24900492]
[http://dx.doi.org/10.1016/j.drudis.2013.11.005] [PMID: 24239728]
[http://dx.doi.org/10.2174/15680266113136660164] [PMID: 24059461]
[http://dx.doi.org/10.2174/138955751503150312120208] [PMID: 25769967]
[http://dx.doi.org/10.1038/nbt0712-571a] [PMID: 22781662]
[http://dx.doi.org/10.1038/nm0911-1027] [PMID: 21900904]
[http://dx.doi.org/10.1093/nar/gkm958] [PMID: 18048412]
[http://dx.doi.org/10.1371/journal.pone.0079568] [PMID: 24223973]
[http://dx.doi.org/10.1038/sdata.2017.29] [PMID: 28291243]
[http://dx.doi.org/10.1038%2Fnm.4306] [PMID: 28388612]
[http://dx.doi.org/10.1016/j.bmcl.2016.03.103] [PMID: 27080183]
[http://dx.doi.org/10.1016/j.drudis.2016.06.021] [PMID: 27365271]
[http://dx.doi.org/10.2174/1568026618666180509151146] [PMID: 29741140]
[http://dx.doi.org/10.1016/j.drudis.2011.02.016] [PMID: 21376136]
[http://dx.doi.org/10.1093/bib/bbr021] [PMID: 21504985]
[http://dx.doi.org/10.1016/j.drudis.2017.10.009] [PMID: 29055182]
[http://dx.doi.org/10.1186/gm326] [PMID: 22494857]
[http://dx.doi.org/10.1128/AAC.00680-13] [PMID: 23689719]
[http://dx.doi.org/10.1016/j.ddtec.2017.04.001] [PMID: 28647085]
[http://dx.doi.org/10.1371/journal.pone.0135556] [PMID: 26270335]
[http://dx.doi.org/10.1002/9780470559277.ch110252] [PMID: 26705509]
[http://dx.doi.org/10.2174/138620711795767802] [PMID: 21521154]
[http://dx.doi.org/10.1021/ci400155x] [PMID: 23889502]
[http://dx.doi.org/10.1038/nbt1284] [PMID: 17287757]
[http://dx.doi.org/10.1038/nature08506] [PMID: 19881490]
[http://dx.doi.org/10.1371/journal.pone.0065894] [PMID: 23805191]
[http://dx.doi.org/10.1021/acs.jmedchem.6b00078] [PMID: 27046190]
[http://dx.doi.org/10.1093/bib/bbr011] [PMID: 21441562]
[http://dx.doi.org/10.1016/j.pbiomolbio.2014.05.006] [PMID: 24923864]
[http://dx.doi.org/10.1021/acschembio.5b00683] [PMID: 26421501]
[http://dx.doi.org/10.1016/j.jbi.2012.07.003] [PMID: 22841748]
[http://dx.doi.org/10.1038/nrg1768] [PMID: 16418747]
[http://dx.doi.org/10.7717/peerj.3154] [PMID: 28348935]
[http://dx.doi.org/10.1016/j.cell.2011.02.016] [PMID: 21414488]
[http://dx.doi.org/10.1371/journal.pcbi.1002574] [PMID: 22859915]
[http://dx.doi.org/10.1186/1758-2946-4-6] [PMID: 22401035]
[http://dx.doi.org/10.3389/fphar.2015.00205] [PMID: 26441661]
[http://dx.doi.org/10.1093/nar/gkw943] [PMID: 27924018]
[http://dx.doi.org/10.1093/nar/gkv1230] [PMID: 26578601]
[http://dx.doi.org/10.1093/nar/gku1003] [PMID: 25352553]
[http://dx.doi.org/10.1016/j.drudis.2012.07.014] [PMID: 22897878]
[http://dx.doi.org/10.1371/journal.pone.0006536] [PMID: 19657382]
[http://dx.doi.org/10.1371/journal.pcbi.1002347] [PMID: 22346740]
[http://dx.doi.org/10.1371/journal.pone.0177743] [PMID: 28562632]
[http://dx.doi.org/10.1126/science.1132939] [PMID: 17008526]
[http://dx.doi.org/10.2174/1568026616666160927160912] [PMID: 27697047]
[http://dx.doi.org/10.1002/jcb.25978] [PMID: 28276600]
[http://dx.doi.org/10.1016/j.actatropica.2012.01.001] [PMID: 22281243]
[http://dx.doi.org/10.1021/ci400284v] [PMID: 23906322]
[http://dx.doi.org/10.1155/2014/279618] [PMID: 24592161]
[http://dx.doi.org/10.1016/j.ejmech.2015.01.065] [PMID: 25707014]
[http://dx.doi.org/10.1007/BF00618517] [PMID: 477712]
[http://dx.doi.org/10.1007/BF00635902] [PMID: 3956565]
[http://dx.doi.org/10.1089/adt.2015.29011.tiodrrr] [PMID: 26241209]
[http://dx.doi.org/10.1038/nrmicro.2016.193] [PMID: 28239154]
[http://dx.doi.org/10.1016/j.ijantimicag.2016.02.018] [PMID: 27216381]
[http://dx.doi.org/10.3390/molecules22061015] [PMID: 28629155]
[http://dx.doi.org/10.1007/s10822-016-9903-6] [PMID: 26891837]
[http://dx.doi.org/10.2165/00003088-199324030-00003] [PMID: 8384945]
[http://dx.doi.org/10.1177/1087057115569155] [PMID: 25690568]
[http://dx.doi.org/10.1371/journal.pntd.0005472] [PMID: 28306713]
[http://dx.doi.org/10.1007/BF00542224] [PMID: 6575916]
[http://dx.doi.org/10.1016/j.ejmech.2017.03.063] [PMID: 28364659]
[http://dx.doi.org/10.1210/jcem.79.2.8045964] [PMID: 8045964]
[http://dx.doi.org/10.2165/00003495-199652010-00007] [PMID: 8799687]
[http://dx.doi.org/10.1093/jac/dkr444] [PMID: 22020137]
[http://dx.doi.org/10.1111/j.1600-0447.1989.tb07176.x] [PMID: 2530793]
[http://dx.doi.org/10.1002/j.1552-4604.1998.tb04388.x] [PMID: 9807973]
[http://dx.doi.org/10.2165/00003088-198510040-00001] [PMID: 2864155]