Applied Chemistry Research Center, Faculty of Chemistry-Pharmacy and Central University of Las Villas, Santa Clara, 54830, Villa Clara, Cuba.
Curr Top Med Chem. 2012;12(8):852-65. doi: 10.2174/156802612800166756.
The neglected tropical diseases (NTDs) affect more than one billion people (one-sixth of the world's population) and occur primarily in undeveloped countries in sub-Saharan Africa, Asia, and Latin America. Available drugs for these diseases are decades old and present an important number of limitations, especially high toxicity and, more recently, the emergence of drug resistance. In the last decade several Quantitative Structure-Activity Relationship (QSAR) studies have been developed in order to identify new organic compounds with activity against the parasites responsible for these diseases, which are reviewed in this paper. The topics summarized in this work are: 1) QSAR studies to identify new organic compounds actives against Chaga's disease; 2) Development of QSAR studies to discover new antileishmanial drusg; 3) Computational studies to identify new drug-like compounds against human African trypanosomiasis. Each topic include the general characteristics, epidemiology and chemotherapy of the disease as well as the main QSAR approaches to discovery/identification of new actives compounds for the corresponding neglected disease. The last section is devoted to a new approach know as multi-target QSAR models developed for antiparasitic drugs specifically those actives against trypanosomatid parasites. At present, as a result of these QSAR studies several promising compounds, active against these parasites, are been indentify. However, more efforts will be required in the future to develop more selective (specific) useful drugs.
被忽视的热带病（NTDs）影响了超过 10 亿人（占世界人口的六分之一），主要发生在撒哈拉以南非洲、亚洲和拉丁美洲的发展中国家。这些疾病的现有药物已经使用了几十年，存在着许多重要的局限性，尤其是高毒性，以及最近出现的耐药性。在过去的十年中，已经开发了多项定量构效关系（QSAR）研究，以确定针对这些疾病寄生虫的具有活性的新有机化合物，本文对这些研究进行了综述。本文总结的主题包括：1）针对恰加斯病的新型有机化合物活性的 QSAR 研究；2）开发针对利什曼病的新型 QSAR 研究；3）针对人类非洲锥虫病的新型药物样化合物的计算研究。每个主题都包括疾病的一般特征、流行病学和化疗，以及发现/识别相应被忽视疾病新活性化合物的主要 QSAR 方法。最后一节专门介绍了一种新的方法，称为针对抗寄生虫药物的多靶标 QSAR 模型，特别是针对锥虫的药物。目前，由于这些 QSAR 研究，已经确定了几种针对这些寄生虫具有活性的有希望的化合物。然而，未来还需要做出更多的努力，以开发更具选择性（特异性）的有用药物。
