ReviewDrug discovery today2022
Structure-based drug repurposing: Traditional and advanced AI/ML-aided methods.
Review in Drug discovery today, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 43 papers.
What it found
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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
43 citing papers in PubMed.
- Generation of antifungals to combat drug resistance using language models and diffusion models.Journal of advanced research · 2026Article
- Medicinal Chemistry Perspectives on Drug Repurposing: Innovative Approaches and Therapeutic Breakthrough.Therapeutic innovation & regulatory science · 2026Review
- Automated Processes and Artificial Intelligence in Generating Candidates for Oncology Drug Repurposing: Three-Year Scoping Review of Data.Pharmacy (Basel, Switzerland) · 2026Review
- Reviewing the Computational Landscape of Drug Repurposing: Evolution from Structure-Based Methods to LLM-Based Methods.Biomolecules · 2026Review
- Drug repurposing for glucosyltransferase inhibition for targeted oral biofilm disruption.NPJ biofilms and microbiomes · 2026Article
- Decoupling Size from Shape: Cellular Sheaf Laplacians as Ligand Geometry Descriptors for Binding Affinity Prediction.International journal of molecular sciences · 2026Article
- DMAPLM: A multimodal pretrained framework for computational drug repositioning.PLoS computational biology · 2026Article
- Rapid screening of potent and mechanistically insightful repurposable anticancer drugs targeting EGFR for non-small cell lung cancer: machine learning-aided and structure-guided approach.Molecular diversity · 2026Article
- Design and evaluation of semantically-valid negative samples integration techniques for scalable semi-automated drug repurposing prediction pipelines in rare disease research.BMC bioinformatics · 2026Article
- Role of Artificial Intelligence in Infectious Diseases and Antimicrobial Resistance: A Comprehensive Review on Diagnostic, Treatment, and Prevention Aspects.Saudi medical journal · 2026Review
- Recent advances in drug repositioning and rediscovery for different therapeutic activities utilizing updated technological approaches.Molecular diversity · 2026Review
- Advancing Drug Discovery with AI: Machine and Deep Learning Strategies for Target Identification and Precision Nanomedicine.International journal of nanomedicine · 2026Review
- Artificial Intelligence in Pharmaceutical Drug Development: Transforming Formulation and Innovation.Current drug discovery technologies · 2026Review
- Bioinformatics and artificial intelligence in genomic data analysis: current advances and future directions.Molecular genetics and genomics : MGG · 2025Review
- Exploring TANK-Binding Kinase 1 in Amyotrophic Lateral Sclerosis: From Structural Mechanisms to Machine Learning-Guided Therapeutics.Life (Basel, Switzerland) · 2025Review
- A Unified Explanation for Drug Repurposing and Pharmacological Pleiotropy Based on Classical and Statistical Thermodynamics.Pharmacology research & perspectives · 2025Review
- Artificial intelligence approaches for anti-addiction drug discovery.Digital discovery · 2025Review
- Computational Drug Repositioning in Cardiorenal Disease: Opportunities, Challenges, and Approaches.Proteomics · 2025Article
- Unveiling the influence of fastest nobel prize winner discovery: alphafold's algorithmic intelligence in medical sciences.Journal of molecular modeling · 2025Review
- Rifampicin Repurposing Reveals Anti-Melanogenic Activity in B16F10 Melanoma Cells.Molecules (Basel, Switzerland) · 2025Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The current global health emergency in the form of the Coronavirus 2019 (COVID-19) pandemic has highlighted the need for fast, accurate, and efficient drug discovery pipelines. Traditional drug discovery projects relying on in vitro high-throughput screening (HTS) involve large investments and sophisticated experimental set-ups, affordable only to big biopharmaceutical companies. In this scenario, application of efficient state-of-the-art computational methods and modern artificial intelligence (AI)-based algorithms for rapid screening of repurposable chemical space [approved drugs and natural products (NPs) with proven pharmacokinetic profiles] to identify the initial leads is a powerful option to save resources and time. Structure-based drug repurposing is a popular in silico repurposing approach. In this review, we discuss traditional and modern AI-based computational methods and tools applied at various stages for structure-based drug discovery (SBDD) pipelines. Additionally, we highlight the role of generative models in generating molecules with scaffolds from repurposable chemical space.
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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.