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Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Handbook of Molecular Descriptors

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Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures

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QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

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Chloroquine: Mechanism of drug action and resistance in plasmodium falciparum

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Antimalarial activity: A QSAR modeling using CODESSA PRO software

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3D-QSAR analysis of antimalarial farnesyltransferase inhibitors based on a 2,5-diaminobenzophenone scaffold

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Computational modeling tools for the design of potent antimalarial bisbenzamidines: Overcoming the antimalarial potential of pentamidine

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3D QSAR studies on antimalarial alkoxylated and hydroxylated chalcones by CoMFA and CoMSIA

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Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds

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QSAR Studies on Antimalarial Substituted Phenyl Analogues and Their Nω-Oxides

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Beware of q2!

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ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

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Ligand-Based Virtual Screening and in Silico Design of New Antimalarial Compounds Using Nonstochastic and Stochastic Total and Atom-Type Quadratic Maps

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Cheminformatics Analysis of Assertions Mined from Literature That Describe Drug-Induced Liver Injury in Different Species

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Rational selection of training and test sets for the development of validated QSAR models

inferredcites →https://doi.org/10.1038/nature09099openalex-snapshot

Chemical genetics of Plasmodium falciparum

inferredcites →https://doi.org/10.1038/nature09107openalex-snapshot

Thousands of chemical starting points for antimalarial lead identification

inferredcites →https://doi.org/10.1038/nchembio806openalex-snapshot

A clinical drug library screen identifies astemizole as an antimalarial agent

inferredcites →https://doi.org/10.1038/nrd2972openalex-snapshot

New medicines to improve control and contribute to the eradication of malaria

inferredcites →https://doi.org/10.1039/9781847558879openalex-snapshot

Chemoinformatics Approaches to Virtual Screening

inferredcites →https://doi.org/10.1039/b917760bopenalex-snapshot

Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development

inferredcites →https://doi.org/10.1093/jac/dki470openalex-snapshot

Identification of new antimalarial drugs by linear discriminant analysis and topological virtual screening

inferredcites →https://doi.org/10.1111/j.1747-0285.2006.00391.xopenalex-snapshot

Searching for New Antimalarial Therapeutics amongst Known Drugs

inferredcites →https://doi.org/10.1126/science.1205216openalex-snapshot

Chemical Genomic Profiling for Antimalarial Therapies, Response Signatures, and Molecular Targets

inferredcites →https://doi.org/10.1145/1961189.1961199openalex-snapshot

LIBSVM

inferredcites →https://doi.org/10.1172/jci115456openalex-snapshot

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inferredcites →https://doi.org/10.1242/jeb.00589openalex-snapshot

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inferredcites →https://doi.org/10.2174/138161207782794257openalex-snapshot

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inferredcites →https://doi.org/10.2174/157340908785747465openalex-snapshot

ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

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