ReviewInternational journal of molecular sciences2022
Virtual Combinatorial Chemistry and Pharmacological Screening: A Short Guide to Drug Design.
Review in International journal of molecular sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers, 1 of them a synthesis that pooled it.
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
19 citing papers in PubMed, 1 synthesis or guideline pooled it.
- Insights into the computer-aided drug design and discovery based on anthraquinone scaffold for cancer treatment: A systematic review.PloS one · 2024Pooled it
- Synthetic accessibility score as a filter for virtual chemical structures in polymer materials design.Journal of molecular modeling · 2026Article
- Discovery of Novel PTP1B Inhibitors by High-throughput Virtual Screening.Current computer-aided drug design · 2026Article
- Targeting UAP1 with rabeprazole: a novel repurposed therapeutic strategy for multiple myeloma.Frontiers in pharmacology · 2026Article
- Machine Learning Application in Enhancing HIV Management and Treatment Outcomes: Revolutionizing HIV Infection.Current HIV research · 2026Review
- Myricetin Suppresses Inflammatory Th17 Polarization to Mitigate Alzheimer's Disease Pathogenesis.CNS neuroscience & therapeutics · 2025Article
- Pharmacokinetic Equations Applied to Obtain New Topological Models in the Search of Antibacterial Compounds.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Harnessing Artificial Intelligence in Pediatric Oncology Diagnosis and Treatment: A Review.Cancers · 2025Review
- Novel Antimicrobials from Computational Modelling and Drug Repositioning: PotentialMolecules (Basel, Switzerland) · 2025Review
- CoLiNN: A Tool for Fast Chemical Space Visualization of Combinatorial Libraries Without Enumeration.Molecular informatics · 2025Article
- Cimicifugin, a broad-spectrum inhibitor ofAntimicrobial agents and chemotherapy · 2024Article
- In Search of Novel SGLT2 Inhibitors by High-throughput Virtual Screening.Current drug discovery technologies · 2024Article
- Article
- FormulationAI: a novel web-based platform for drug formulation design driven by artificial intelligence.Briefings in bioinformatics · 2023Article
- Network pharmacology study of the mechanism underlying the therapeutic effect of Zhujing pill and its main component oleanolic acid against diabetic retinopathy.Bioscience reports · 2023Article
- Article
- Targeting ion channels with ultra-large library screening for hit discovery.Frontiers in molecular neuroscience · 2023Review
- Synthesis, spectral characterization, crystal structure and computational investigation of 2-formyl-6-methoxy-3-carbethoxy quinoline as potential SARS-CoV inhibitor.The Journal of physics and chemistry of solids · 2022Article
- One-Pot Multicomponent Polymerization, Metal-, and Non-Metal-Catalyzed Synthesis of Organoselenium Compounds.Polymers · 2022Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Traditionally, drug development involved the individual synthesis and biological evaluation of hundreds to thousands of compounds with the intention of highlighting their biological activity, selectivity, and bioavailability, as well as their low toxicity. On average, this process of new drug development involved, in addition to high economic costs, a period of several years before hopefully finding a drug with suitable characteristics to drive its commercialization. Therefore, the chemical synthesis of new compounds became the limiting step in the process of searching for or optimizing leads for new drug development. This need for large chemical libraries led to the birth of high-throughput synthesis methods and combinatorial chemistry. Virtual combinatorial chemistry is based on the same principle as real chemistry-many different compounds can be generated from a few building blocks at once. The difference lies in its speed, as millions of compounds can be produced in a few seconds. On the other hand, many virtual screening methods, such as QSAR (Quantitative Sturcture-Activity Relationship), pharmacophore models, and molecular docking, have been developed to study these libraries. These models allow for the selection of molecules to be synthesized and tested with a high probability of success. The virtual combinatorial chemistry-virtual screening tandem has become a fundamental tool in the process of searching for and developing a drug, as it allows the process to be accelerated with extraordinary economic savings.
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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.