Abstract
Malaria is one of the most dangerous diseases in developing countries. The chemotherapy of malaria has been based on drugs developed more than half a century ago. These drugs are continuously losing their efficacy, mainly due to multi-drug resistance developed by the malaria-causing parasite. In the last three decades, artemisinin and artemisinin-like compounds have proven to be efficient alternatives to the chemotherapeutic control of malaria. These facts have led to an increasing interest in the development of Quantitative Structure Activity Relantioship (QSAR) models for these compounds. This work presents a critical view on some QSAR models, and shows that, due to lack of a rigorous selection of the descriptors entering the models, most of them are unable to accurately indicate the molecular cause of biological activity. Some reasons for the weakness of the published models are discussed.
Keywords: QSAR, malaria, artemisinin, endoperoxide, mechanism of action, mefloquine, chloroquine, Plasmodium falciparum, artemisinin, Plasmodium sp, lipophilic, glutathione-S-transferase, sulfotransferases
Mini-Reviews in Medicinal Chemistry
Title:A Critical View on Antimalarial Endoperoxide QSAR Studies
Volume: 12 Issue: 6
Author(s): R. R. Teixeira, J. W. de M. Carneiro, M. T. de Araujo and A. G. Taranto
Affiliation:
Keywords: QSAR, malaria, artemisinin, endoperoxide, mechanism of action, mefloquine, chloroquine, Plasmodium falciparum, artemisinin, Plasmodium sp, lipophilic, glutathione-S-transferase, sulfotransferases
Abstract: Malaria is one of the most dangerous diseases in developing countries. The chemotherapy of malaria has been based on drugs developed more than half a century ago. These drugs are continuously losing their efficacy, mainly due to multi-drug resistance developed by the malaria-causing parasite. In the last three decades, artemisinin and artemisinin-like compounds have proven to be efficient alternatives to the chemotherapeutic control of malaria. These facts have led to an increasing interest in the development of Quantitative Structure Activity Relantioship (QSAR) models for these compounds. This work presents a critical view on some QSAR models, and shows that, due to lack of a rigorous selection of the descriptors entering the models, most of them are unable to accurately indicate the molecular cause of biological activity. Some reasons for the weakness of the published models are discussed.
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R. Teixeira R., W. de M. Carneiro J., T. de Araujo M. and G. Taranto A., A Critical View on Antimalarial Endoperoxide QSAR Studies, Mini-Reviews in Medicinal Chemistry 2012; 12 (6) . https://dx.doi.org/10.2174/138955712800493852
DOI https://dx.doi.org/10.2174/138955712800493852 |
Print ISSN 1389-5575 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5607 |
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