Abstract
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.
Keywords: Leishmania, neglected tropical diseases, QSAR, Trypanosoma brucei, Trypanosoma cruzi, trypanosomatid
Current Topics in Medicinal Chemistry
Title:A Review of QSAR studies to Discover New Drug-like Compounds Actives Against Leishmaniasis and Trypanosomiasis
Volume: 12 Issue: 8
Author(s): Juan Alberto Castillo-Garit, Concepcion Abad, J. Enrique Rodriguez-Borges, Yovani Marrero-Ponce and Francisco Torrens
Affiliation:
Keywords: Leishmania, neglected tropical diseases, QSAR, Trypanosoma brucei, Trypanosoma cruzi, trypanosomatid
Abstract: 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.
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Cite this article as:
Alberto Castillo-Garit Juan, Abad Concepcion, Enrique Rodriguez-Borges J., Marrero-Ponce Yovani and Torrens Francisco, A Review of QSAR studies to Discover New Drug-like Compounds Actives Against Leishmaniasis and Trypanosomiasis, Current Topics in Medicinal Chemistry 2012; 12 (8) . https://dx.doi.org/10.2174/156802612800166756
DOI https://dx.doi.org/10.2174/156802612800166756 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
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