ReviewMolecules (Basel, Switzerland)2021
Recent Advances in In Silico Target Fishing.
Review in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 42 papers.
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Who cites it
42 citing papers in PubMed.
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- Integrating Molecular Similarity and AlphaFold-Based Structural Alignment for Target Discovery inPharmaceuticals (Basel, Switzerland) · 2026Article
- Structural Basis for Potent Inhibition of Human DHODH by Quinoline-4-carboxylic Acid Derivatives.ACS omega · 2026Article
- Design, Synthesis and Biological Evaluation of Medicinal Potential Compounds.Molecules (Basel, Switzerland) · 2026Article
- Thyme, Oregano, and Cinnamon Essential Oils: Investigating Their Molecular Mechanism of Action for the Treatment of Bacteria-Induced Cystitis.ACS omega · 2026Article
- Therapeutic Antitoxoplasmosis Potential ofJournal of tropical medicine · 2026Article
- Computational proteome-wide screening reveals potential targets of astragaloside IV inFrontiers in veterinary science · 2026Article
- Biotin-Linked Ursolic Acid Conjugates as Selective Anticancer Agents and Target-Identification Tools for Cancer Therapy.Molecules (Basel, Switzerland) · 2025Article
- Computational Investigation of the Potential Antileishmanial Mechanism of the Nitroindazole Derivative VATR131.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Screening for Antileukemia Agents in FMS-like Tyrosine Kinase 3 (FLT3)-Mutated Acute Myeloid Leukemia Cells.ACS pharmacology & translational science · 2025Article
- AI-Driven Polypharmacology in Small-Molecule Drug Discovery.International journal of molecular sciences · 2025Review
- Advanced Artificial Intelligence Technologies Transforming Contemporary Pharmaceutical Research.Bioengineering (Basel, Switzerland) · 2025Review
- KinasePred: A Computational Tool for Small-Molecule Kinase Target Prediction.International journal of molecular sciences · 2025Article
- Phytochemical and antibacterial properties of calyces Hibiscus sabdariffa L.: an in vitro and in silico multitarget-mediated antibacterial study.BMC complementary medicine and therapies · 2025Article
- Mechanisms, therapeutic strategies, and emerging therapeutic alternatives for carbapenem resistance in Gram-negative bacteria.Archives of microbiology · 2025Review
- Article
- Exploring cotton plant compounds for novel treatments against brain-eating Naegleria fowleri: An In-silico approach.PloS one · 2025Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In silico target fishing, whose aim is to identify possible protein targets for a query molecule, is an emerging approach used in drug discovery due its wide variety of applications. This strategy allows the clarification of mechanism of action and biological activities of compounds whose target is still unknown. Moreover, target fishing can be employed for the identification of off targets of drug candidates, thus recognizing and preventing their possible adverse effects. For these reasons, target fishing has increasingly become a key approach for polypharmacology, drug repurposing, and the identification of new drug targets. While experimental target fishing can be lengthy and difficult to implement, due to the plethora of interactions that may occur for a single small-molecule with different protein targets, an in silico approach can be quicker, less expensive, more efficient for specific protein structures, and thus easier to employ. Moreover, the possibility to use it in combination with docking and virtual screening studies, as well as the increasing number of web-based tools that have been recently developed, make target fishing a more appealing method for drug discovery. It is especially worth underlining the increasing implementation of machine learning in this field, both as a main target fishing approach and as a further development of already applied strategies. This review reports on the main in silico target fishing strategies, belonging to both ligand-based and receptor-based approaches, developed and applied in the last years, with a particular attention to the different web tools freely accessible by the scientific community for performing target fishing studies.
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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 Socratic graph.