ReviewExpert opinion on drug discovery2017
Computational polypharmacology: a new paradigm for drug discovery.
Review in Expert opinion on drug discovery, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
45 citing papers in PubMed.
- Nicotine in Neurodegenerative and Neuropsychiatric Disorders: Mechanisms and Clinical Evidence.Neurochemical research · 2026Review
- Mutant-Selective Binding ofInternational journal of molecular sciences · 2026Article
- Between Chemical Simplicity and Biological Complexity: In Silico Profiling of Butyrolactones I and III as Potential Multi-Target Drug Candidates.Current issues in molecular biology · 2026Article
- Multi-Bioinformatics Approach Reveals COX5B-Mediated Modulation of Oxidative Phosphorylation and ROS Levels by Water and Ethanol Extracts of Schisandrae Fructus in SW1783 Cells.Antioxidants (Basel, Switzerland) · 2026Article
- Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology.Nature machine intelligence · 2025Article
- Machine Learning for Multi-Target Drug Discovery: Challenges and Opportunities in Systems Pharmacology.Pharmaceutics · 2025Review
- A stratified treatment algorithm in psychiatry: a program on stratified pharmacogenomics in severe mental illness (Psych-STRATA): concept, objectives and methodologies of a multidisciplinary project funded by Horizon Europe.European archives of psychiatry and clinical neuroscience · 2025Article
- Target identification of natural products in cancer with chemical proteomics and artificial intelligence approaches.Cancer biology & medicine · 2025Review
- Reconciling multiple connectivity-based systems biology methods for drug repurposing.Briefings in bioinformatics · 2025Review
- AI in Clinical Trials and Drug Development: Challenges and Potential Advancements.Current drug discovery technologies · 2025Review
- Better understanding the phenotypic effects of drugs through shared targets in genetic disease networks.Frontiers in pharmacology · 2024Article
- Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative.International journal of molecular sciences · 2023Article
- Polypharmacology: promises and new drugs in 2022.Pharmacological reports : PR · 2023Review
- Design, synthesis, molecular docking and biological evaluation of new carbazole derivatives as anticancer, and antioxidant agents.BMC chemistry · 2023Article
- Molecular docking analysis of Aza compounds with the heme-binding protein fromBioinformation · 2023Article
- Development and evaluation of a java-based deep neural network method for drug response predictions.Frontiers in artificial intelligence · 2023Article
- Mining the Protein Data Bank to inspire fragment library design.Frontiers in chemistry · 2023Article
- α-Linolenic Acid Screened by Molecular Docking Attenuates Inflammation by Regulating Th1/Th2 Imbalance in Ovalbumin-Induced Mice of Allergic Rhinitis.Molecules (Basel, Switzerland) · 2022Article
- Network Pharmacology Approach for Medicinal Plants: Review and Assessment.Pharmaceuticals (Basel, Switzerland) · 2022Review
- Azepine-Indole Alkaloids FromFrontiers in neuroscience · 2022Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
Abstract
introductionOver the past couple of years, the cost of drug development has sharply increased along with the high rate of clinical trial failures. Such increase in expenses is partially due to the inability of the "one drug - one target" approach to predict drug side effects and toxicities. To tackle this issue, an alternative approach, known as polypharmacology, is being adopted to study small molecule interactions with multiple targets. Apart from developing more potent and effective drugs, this approach allows for studies of off-target activities and the facilitation of drug repositioning. Although exhaustive polypharmacology studies in-vitro or in-vivo are not practical, computational methods of predicting unknown targets or side effects are being developed. Areas covered: This article describes various computational approaches that have been developed to study polypharmacology profiles of small molecules. It also provides a brief description of the algorithms used in these state-of-the-art methods. Expert opinion: Recent success in computational prediction of multi-targeting drugs has established polypharmacology as a promising alternative approach to tackle some of the daunting complications in drug discovery. This will not only help discover more effective agents, but also present tremendous opportunities to study novel target pharmacology and facilitate drug repositioning efforts in the pharmaceutical industry.
Indexed as
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What OpenQuestion holds
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.