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.
Export Options
About this article
Cite this article as:
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 |
Call for Papers in Thematic Issues
Bioprospecting of Natural Products as Sources of New Multitarget Therapies
According to the Convention on Biological Diversity, bioprospecting is the exploration of biodiversity and indigenous knowledge to develop commercially valuable products for pharmaceutical and other applications. Bioprospecting involves searching for useful organic compounds in plants, fungi, marine organisms, and microorganisms. Natural products traditionally constituted the primary source of more than ...read more
Computational Frontiers in Medicinal Chemistry
The thematic issue "Computational Frontiers in Medicinal Chemistry" provides a robust platform for delving into state-of-the-art computational methodologies and technologies that significantly propel advancements in medicinal chemistry. This edition seeks to amalgamate top-tier reviews spotlighting the latest trends and breakthroughs in the fusion of computational approaches, including artificial intelligence (AI) ...read more
Mitochondria as a Therapeutic Target in Metabolic Disorders
Mitochondria are the primary site of adenosine triphosphate (ATP) production in mammalian cells. Moreover, these organelles are an important source of reactive oxygen and nitrogen species in virtually any nucleated cell type. The modulation of a myriad of cellular signaling pathways depends on the mitochondrial physiology. Mitochondrial dysfunction is observed ...read more
Natural Products and Dietary Supplements in Alleviation of Metabolic, Cardiovascular, and Neurological Disorders
Metabolic disorders like diabetes, obesity, inflammation, oxidative stress, cancer etc, cardiovascular disorders like angina, myocardial infarction, congestive heart failure etc as well as neurological disorders like Alzheimer?s, Parkinson?s, Epilepsy, Depression, etc are the global burden. They covered the major segment of the diseases and disorders from which the human community ...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
Related Articles
-
A Family of Pleiotropically Acting MicroRNAs in Cancer Progression, miR-200: Potential Cancer Therapeutic Targets
Current Pharmaceutical Design Scope of Nanotechnology-based Radiation Therapy and Thermotherapy Methods in Cancer Treatment
Current Cancer Drug Targets Current Development of Metal Complexes with Diamine Ligands as Potential Anticancer Agents
Current Medicinal Chemistry Nutraceuticals for Promoting Longevity
Current Nutraceuticals DNAzyme Delivery Approaches in Biological Settings
Current Medicinal Chemistry The JPJDF has Synergistic Effect with Fluoropyrimidine in the Maintenance Therapy for Metastatic Colorectal Cancer
Recent Patents on Anti-Cancer Drug Discovery Hepatocyte Growth Factor Signaling in Cancer Metastasis
Current Signal Transduction Therapy Patent Review
Combinatorial Chemistry & High Throughput Screening A Review on Novel Breast Cancer Therapies: Photodynamic Therapy and Plant Derived Agent Induced Cell Death Mechanisms
Anti-Cancer Agents in Medicinal Chemistry Redox-active and Redox-silent Compounds: Synergistic Therapeutics in Cancer
Current Medicinal Chemistry Delivery of Intracellular-Acting Biologics in Pro-Apoptotic Therapies
Current Pharmaceutical Design Breast Cancer Chemoprevention: Current Perspectives
Current Enzyme Inhibition ThermoTRP Channels in Nociceptors: Taking a Lead from Capsaicin Receptor TRPV1
Current Neuropharmacology From the RB Tumor Suppressor to MCR Peptides
Protein & Peptide Letters Antiproliferative and Antifungal Activities of 1,3-diarylpropane-1,3-diones Commonly used as Sunscreen Agents
Letters in Drug Design & Discovery Reprofiling of Troglitazone Towards More Active and Less Toxic Derivatives: A New Hope for Cancer Treatment?
Current Topics in Medicinal Chemistry The p35 Family of Apoptosis Inhibitors
Current Genomics Cancer Stem Cells: The ‘Achilles Heel’ of Chemo-Resistant Tumors
Recent Patents on Anti-Cancer Drug Discovery Implications of Fibroblast Growth Factors (FGFs) in Cancer: From Prognostic to Therapeutic Applications
Current Drug Targets Repurposed Drugs for the Treatment of Schizophrenia and Bipolar Disorders
Current Topics in Medicinal Chemistry