ReviewFrontiers in molecular biosciences2025
Pharmacophore modeling: advances and pitfalls.
Review in Frontiers in molecular biosciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 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.
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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.
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Who cites it
2 citing papers in PubMed.
- Recent Advances in the Design of Inhibitors Targeting the Viral Entry and Replication of the SARS-CoV-2 Virus, Driven by In Silico Approaches.Molecules (Basel, Switzerland) · 2026Review
- Review
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Pharmacophore modeling has evolved from a static conceptual framework into a central computational tool in modern drug discovery. Recent advances include multi-pharmacophore strategies that better capture ligand diversity and target flexibility, as well as dynamic pharmacophore models ("dynophores") derived from molecular dynamics simulations that reflect time-dependent interaction patterns. The integration of artificial intelligence and machine learning has further improved feature extraction, virtual screening accuracy, and predictive performance across discovery pipelines. Despite these advances, pharmacophore modeling remains constrained by conformational bias, limited binding-mode representation, and computational cost. Case studies involving efflux pumps, topoisomerase IIα, and LEDGF/p75-integrase inhibitors illustrate both the strengths and limitations of current methods. Collectively, these developments underscore the value of hybrid approaches to enhance pharmacophore reliability and real-world utility.
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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.