ArticleNucleic acids research2012
idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach.
Article in Nucleic acids research, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 57 papers.
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Who cites it
57 citing papers in PubMed.
- Review
- ComTarget: Small-Molecule Target Prediction with Combinatorial Modeling.Pharmaceuticals (Basel, Switzerland) · 2026Article
- AutoRevDock: An open-source toolkit for scalable reverse docking.Protein science : a publication of the Protein Society · 2025Article
- MAI-TargetFisher: A proteome-wide drug target prediction method synergetically enhanced by artificial intelligence and physical modeling.Acta pharmacologica Sinica · 2025Article
- Dual-channel hypergraph convolutional network for predicting herb-disease associations.Briefings in bioinformatics · 2024Article
- Metabolomic profile, anti-trypanosomal potential and molecular docking studies ofJournal of enzyme inhibition and medicinal chemistry · 2023Article
- Comprehensive survey of target prediction web servers for Traditional Chinese Medicine.Heliyon · 2023Review
- In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences.Journal of cheminformatics · 2023Article
- Blackberry-Loaded AgNPs Attenuate Hepatic Ischemia/Reperfusion Injury via PI3K/Akt/mTOR Pathway.Metabolites · 2023Article
- Polyphenolic Profile ofPharmaceutics · 2023Article
- ReverseDock: a web server for blind docking of a single ligand to multiple protein targets using AutoDock Vina.Frontiers in molecular biosciences · 2023Article
- The Wound-Healing Potential ofMetabolites · 2022Article
- Bioactive Phytochemicals ofAntioxidants (Basel, Switzerland) · 2022Article
- The Chemical Profiling, Docking Study, and Antimicrobial and Antibiofilm Activities of theMolecules (Basel, Switzerland) · 2022Article
- Computational Methods for Drug Repurposing.Advances in experimental medicine and biology · 2022Article
- Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking.Journal of computer-aided molecular design · 2022Article
- An In Vitro and In Silico Study of the Enhanced Antiproliferative and Pro-Oxidant Potential ofAntioxidants (Basel, Switzerland) · 2021Article
- Anticancer Potential of Green Synthesized Silver Nanoparticles of the Soft CoralPharmaceutics · 2021Article
- Anti-Cancer and Anti-Inflammatory Potential of the Green Synthesized Silver Nanoparticles of the Red Sea SpongeAntibiotics (Basel, Switzerland) · 2021Article
- Recent Advances in In Silico Target Fishing.Molecules (Basel, Switzerland) · 2021Review
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Identification of possible protein targets of small chemical molecules is an important step for unravelling their underlying causes of actions at the molecular level. To this end, we construct a web server, idTarget, which can predict possible binding targets of a small chemical molecule via a divide-and-conquer docking approach, in combination with our recently developed scoring functions based on robust regression analysis and quantum chemical charge models. Affinity profiles of the protein targets are used to provide the confidence levels of prediction. The divide-and-conquer docking approach uses adaptively constructed small overlapping grids to constrain the searching space, thereby achieving better docking efficiency. Unlike previous approaches that screen against a specific class of targets or a limited number of targets, idTarget screen against nearly all protein structures deposited in the Protein Data Bank (PDB). We show that idTarget is able to reproduce known off-targets of drugs or drug-like compounds, and the suggested new targets could be prioritized for further investigation. idTarget is freely available as a web-based server at http://idtarget.rcas.sinica.edu.tw.
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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.