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.
Export Options
About this article
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 |
Call for Papers in Thematic Issues
Chemistry Based on Natural Products for Therapeutic Purposes
The development of new pharmaceuticals for a wide range of medical conditions has long relied on the identification of promising natural products (NPs). There are over sixty percent of cancer, infectious illness, and CNS disease medications that include an NP pharmacophore, according to the Food and Drug Administration. Since NP ...read more
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-Aided Drug Design
Drug development discovery has faced several challenges over the years. In fact, the evolution of classical approaches to modern methods using computational methods, or Computer-Aided Drug Design (CADD), has shown promising and essential results in any drug discovery campaign. Among these methods, molecular docking is one of the most notable ...read more
Drug Discovery in the Age of Artificial Intelligence
In the age of artificial intelligence (AI), we have witnessed a significant boom in AI techniques for drug discovery. AI techniques are increasingly integrated and accelerating the drug discovery process. These developments have not only attracted the attention of academia and industry but also raised important questions regarding the selection ...read more
From Biodiversity to Chemical Diversity: Focus of Flavonoids
Flavonoids are the largest group of polyphenols, plant secondary metabolites arising from the essential aromatic amino acid phenylalanine (or more rarely from tyrosine) via the phenylpropanoid pathway. The flavan nucleus is the basic 15-carbon skeleton of flavonoids (C6-C3-C6), which consists of two phenyl rings (A and B) and a heterocyclic ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
- Announcements
Related Articles
-
Therapeutic Potential of Green Synthesized Metallic Nanoparticles Against <i>Staphylococcus aureus</i>
Current Drug Research Reviews Alkaloids: An Emerging Antibacterial Modality Against Methicillin Resistant Staphylococcus aureus
Current Pharmaceutical Design Chemistry and Pharmacology of Neglected Helminthic Diseases
Current Medicinal Chemistry Prevention of Ischemic Stroke: Antithrombotic Therapy in Cardiac Embolism
Current Drug Targets Assay of Daptomycin Injection: Development and Validation of an Environment-friendly CZE Method
Current Pharmaceutical Analysis Preparation, Crystallization and Preliminary X-Ray Analysis of Threonine Synthase from Streptococcus mutans
Protein & Peptide Letters Point of Care Cardiac Ultrasound Applications in the Emergency Department and Intensive Care Unit - A Review
Current Cardiology Reviews The Role of Universal Stress Proteins in Bacterial Infections
Current Medicinal Chemistry Peculiarities of the Clinical Course of Oxidative Protein and Lipid Modification in Children with Acute Rheumatic Fever
Endocrine, Metabolic & Immune Disorders - Drug Targets Staphylococcus aureus: Current State of Prevalence, Impact, and Vaccine Development
Current Pharmaceutical Design β-Lactams in the New Millennium. Part-II: Cephems, Oxacephems, Penams and Sulbactam
Mini-Reviews in Medicinal Chemistry Structure and Function of the Type III Secretion System of Pseudomonas aeruginosa
Current Protein & Peptide Science Radiolabeled Compounds in Diagnosis of Infectious and Inflammatory Disease
Current Pharmaceutical Design Intracellular Life of Coxiella burnetii in Macrophages: Insight into Q Fever Immunopathology
Current Immunology Reviews (Discontinued) Endocarditis Due to Salmonella Enterica Subsp. Arizonae in a Patient with Sickle Cell Disease: A Case Report and Review of the Literature
Cardiovascular & Hematological Disorders-Drug Targets The Impetus of COVID -19 in Multiple Organ Affliction Apart from Respiratory Infection: Pathogenesis, Diagnostic Measures and Current Treatment Strategy
Infectious Disorders - Drug Targets <i>In Vitro</i> Evaluation of Immunogenicity of Recombinant OMP25 Protein Obtained from <i>Endemic Brucella</i> abortus Biovar 3 as Vaccine Candidate Molecule Against Animal Brucellosis
Protein & Peptide Letters Phage Therapy: A New Horizon in the Antibacterial Treatment of Oral Pathogens
Current Topics in Medicinal Chemistry Scintigraphic Imaging of Inflammatory Processes
Medicinal Chemistry Reviews - Online (Discontinued) Pulmonary Valve Endocarditis: A Case Report
Infectious Disorders - Drug Targets