ArticlePLoS computational biology2013
Prediction of the P. falciparum target space relevant to malaria drug discovery.
Article in PLoS computational biology, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed, 38 citations in OpenAlex.
- Targeting protein-protein interactions in Plasmodium: from asexual replication to sexual development.Parasites & vectors · 2026Review
- The Medicines for Malaria Venture Malaria Box contains inhibitors of protein secretion in Plasmodium falciparum blood stage parasites.Traffic (Copenhagen, Denmark) · 2022Article
- Targeting theFrontiers in cellular and infection microbiology · 2022Article
- Novel Computational Approach to Predict Off-Target Interactions for Small Molecules.Frontiers in big data · 2019Article
- Closing the Gap Between Therapeutic Use and Mode of Action in Remedial Herbs.Frontiers in pharmacology · 2019Article
- Identification of new promising Plasmodium falciparum superoxide dismutase allosteric inhibitors through hierarchical pharmacophore-based virtual screening and molecular dynamics.Journal of molecular modeling · 2018Article
- Functional analysis of Plasmodium falciparum subpopulations associated with artemisinin resistance in Cambodia.Malaria journal · 2017Article
- QSAR modeling and chemical space analysis of antimalarial compounds.Journal of computer-aided molecular design · 2017Article
- Decoding the Role of Glycans in Malaria.Frontiers in microbiology · 2017Review
- Discovery of a New Class of Cathepsin K Inhibitors in Rhizoma Drynariae as Potential Candidates for the Treatment of Osteoporosis.International journal of molecular sciences · 2016Article
- Plasmodium falciparum Cyclic Amine Resistance Locus (PfCARL), a Resistance Mechanism for Two Distinct Compound Classes.ACS infectious diseases · 2016Article
- Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.PLoS pathogens · 2016Article
- Structure Based Docking and Molecular Dynamic Studies of Plasmodial Cysteine Proteases against a South African Natural Compound and its Analogs.Scientific reports · 2016Article
- Screening of potential targets in Plasmodium falciparum using stage-specific metabolic network analysis.Molecular diversity · 2015Article
- Bayesian models trained with HTS data for predicting β-haematin inhibition and in vitro antimalarial activity.Bioorganic & medicinal chemistry · 2015Article
- Identification of inhibitors of Plasmodium falciparum RuvB1 helicase using biochemical assays.Protoplasma · 2015Article
- Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules.Journal of cheminformatics · 2015Article
- Towards structural systems pharmacology to study complex diseases and personalized medicine.PLoS computational biology · 2014Review
- Plasmodium falciparum UvrD activities are downregulated by DNA-interacting compounds and its dsRNA inhibits malaria parasite growth.BMC biochemistry · 2014Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Malaria is still one of the most devastating infectious diseases, affecting hundreds of millions of patients worldwide. Even though there are several established drugs in clinical use for malaria treatment, there is an urgent need for new drugs acting through novel mechanisms of action due to the rapid development of resistance. Resistance emerges when the parasite manages to mutate the sequence of the drug targets to the extent that the protein can still perform its function in the parasite but can no longer be inhibited by the drug, which then becomes almost ineffective. The design of a new generation of malaria drugs targeting multiple essential proteins would make it more difficult for the parasite to develop full resistance without lethally disrupting some of its vital functions. The challenge is then to identify which set of Plasmodium falciparum proteins, among the millions of possible combinations, can be targeted at the same time by a given chemotype. To do that, we predicted first the targets of the close to 20,000 antimalarial hits identified recently in three independent phenotypic screening campaigns. All targets predicted were then projected onto the genome of P. falciparum using orthologous relationships. A total of 226 P. falciparum proteins were predicted to be hit by at least one compound, of which 39 were found to be significantly enriched by the presence and degree of affinity of phenotypically active compounds. The analysis of the chemically compatible target combinations containing at least one of those 39 targets led to the identification of a priority set of 64 multi-target profiles that can set the ground for a new generation of more robust malaria drugs.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.