ReviewBritish journal of pharmacology2007
In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling.
Review in British journal of pharmacology, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 213 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
213 citing papers in PubMed.
- In silico design and In Vitro validation of WK15: a promising antimicrobial peptide for aquaculture applications.World journal of microbiology & biotechnology · 2026Article
- Bacteriocins as precision antimicrobials: genomic exploration and oral applications of Lactobacillus peptides.Archives of microbiology · 2026Review
- Qualitative and quantitative in silico toxicity profiling of "angel dust": phencyclidine (PCP) analogues as new psychoactive substances (3-HO-PCP, 3-MeO-PCP, 4-MeO-PCP, 3-HO-PCE, 3-MeO-PCE, 4-MeO-PCE).Archives of toxicology · 2026Article
- Graph-based and molecular modeling approaches to identify TpiA as a noval therapeutic target in Neisseria meningitidis.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- A hierarchical interaction message net for accurate molecular property prediction.Communications chemistry · 2026Article
- In-silico Study of an Inhibitor of S-Adenosyl-L-Homocysteine Hydrolase (SAHH) of Naegleria fowleri using Molecular Docking, Density Functional Theory (DFT), and Molecular Dynamics (MD) Simulation.Molecular biotechnology · 2026Article
- Computational Modeling of PROTAC Ternary Complexes as Ensembles Using SILCS-xTAC.Journal of chemical information and modeling · 2026Article
- Design, Synthesis, and Evaluation of Voltage-gated Sodium Channel Inhibitors as Anticonvulsant Agents.Current neurovascular research · 2026Article
- Succinic acid enhances sedative activity of diazepam through GABAergic receptor modulation: Evidence from behavioral approach and computational insights.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- From genomes to interventions: computational strategies transforming parasitology.Frontiers in veterinary science · 2026Review
- In silico screening of natural compounds as potential inhibitors against SecA protein of Acinetobacter baumannii.Molecular diversity · 2025Article
- Rational design, synthesis, and molecular modelling insights of dual DNA binders/DHFR inhibitors bearing arylidene-hydrazinyl-1,3-thiazole scaffold with apoptotic and anti-migratory potential in breast MCF-7 cancer cells.Journal of enzyme inhibition and medicinal chemistry · 2025Article
- Navigating Transition Metal-Dependent Cell Death: Mechanisms, Crosstalk, and Future Directions.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Review
- Design of Hybrid Bioactive Peptides Derived From Cecropin and Cathepsin for Therapeutic Application.Chemical biology & drug design · 2025Article
- Unconventional Non-rodent Models in Neurological Research: Exploring New Paths to Translational Insights.Journal of molecular neuroscience : MN · 2025Review
- Scaffold Hopping in Tuberculosis Drug Discovery: Principles, Applications, and Case Studies.Journal of medicinal chemistry · 2025Review
- Molecular docking to homology models of human and Trypanosoma brucei ERK8 that identified ortholog-specific inhibitors.PLoS neglected tropical diseases · 2025Article
- Biomimetic Tumour Model Systems for Pancreatic Ductal Adenocarcinoma in Relation to Photodynamic Therapy.International journal of molecular sciences · 2025Review
- Modeling Alzheimer's Disease: A Review of Gene-Modified and Induced Animal Models, Complex Cell Culture Models, and Computational Modeling.Brain sciences · 2025Review
- Structural Bioinformatics Applied to Acetylcholinesterase Enzyme Inhibition.International journal of molecular sciences · 2025Review
153 more citing papers are in PubMed but not listed here.
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
Pharmacology over the past 100 years has had a rich tradition of scientists with the ability to form qualitative or semi-quantitative relations between molecular structure and activity in cerebro. To test these hypotheses they have consistently used traditional pharmacology tools such as in vivo and in vitro models. Increasingly over the last decade however we have seen that computational (in silico) methods have been developed and applied to pharmacology hypothesis development and testing. These in silico methods include databases, quantitative structure-activity relationships, pharmacophores, homology models and other molecular modeling approaches, machine learning, data mining, network analysis tools and data analysis tools that use a computer. In silico methods are primarily used alongside the generation of in vitro data both to create the model and to test it. Such models have seen frequent use in the discovery and optimization of novel molecules with affinity to a target, the clarification of absorption, distribution, metabolism, excretion and toxicity properties as well as physicochemical characterization. The aim of this review is to illustrate some of the in silico methods for pharmacology that are used in drug discovery. Further applications of these methods to specific targets and their limitations will be discussed in the second accompanying part of this review.
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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.