ArticleJournal of cheminformatics2016
Are the physicochemical properties of antibacterial compounds really different from other drugs?
Article in Journal of cheminformatics, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 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
20 citing papers in PubMed, 51 citations in OpenAlex.
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- Synthesis and Characterization of Two Sparfloxacin Crystalline Salts: Enhancing Solubility and In Vitro Antibacterial Activity of Sparfloxacin.Pharmaceutics · 2024Article
- Microbial community interactions on a chip.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Machine Learning-Based Virtual Screening of Antibacterial Agents against Methicillin-Susceptible and ResistantJournal of chemical information and modeling · 2024Article
- Acylhydrazones and Their Biological Activity: A Review.Molecules (Basel, Switzerland) · 2022Review
- Isatin Bis-Indole and Bis-Imidazothiazole Hybrids: Synthesis and Antimicrobial Activity.Molecules (Basel, Switzerland) · 2022Article
- Identification of potential non-nucleoside MraY inhibitors for tuberculosis chemotherapy using structure-based virtual screening.Journal of biomolecular structure & dynamics · 2022Article
- Challenges in Drug Discovery for Intracellular Bacteria.Pathogens (Basel, Switzerland) · 2021Article
- Compound Prioritization through Meta-Analysis Enhances the Discovery of Antimicrobial Hits against Bacterial Pathogens.Antibiotics (Basel, Switzerland) · 2021Article
- Cheminformatic Characterization of Natural Antimicrobial Products for the Development of New Lead Compounds.Molecules (Basel, Switzerland) · 2021Review
- Article
- Discovery of multidrug efflux pump inhibitors with a novel chemical scaffold.Biochimica et biophysica acta. General subjects · 2020Article
- Testicular Caspase-3 and β-Catenin Regulators Predicted via Comparative Metabolomics and Docking Studies.Metabolites · 2020Article
- The Demand for New Antibiotics: Antimicrobial Peptides, Nanoparticles, and Combinatorial Therapies as Future Strategies in Antibacterial Agent Design.Frontiers in microbiology · 2020Review
- Hepatitis C Virus NS3 Protease and Helicase Inhibitors from Red Sea Sponge (International journal of nanomedicine · 2020Article
- Small Polar Hits againstACS omega · 2019Article
- Novel narrow spectrum benzyl thiophene sulfonamide derivatives to control Campylobacter.The Journal of antibiotics · 2019Article
- A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-ResistantMarine drugs · 2018Article
- Antibiotic Hybrids: the Next Generation of Agents and Adjuvants against Gram-Negative Pathogens?Clinical microbiology reviews · 2018Review
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 at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundIt is now widely recognized that there is an urgent need for new antibacterial drugs, with novel mechanisms of action, to combat the rise of multi-drug resistant bacteria. However, few new compounds are reaching the market. Antibacterial drug discovery projects often succeed in identifying potent molecules in biochemical assays but have been beset by difficulties in obtaining antibacterial activity. A commonly held view, based on analysis of marketed antibacterial compounds, is that antibacterial drugs possess very different physicochemical properties to other drugs, and that this profile is required for antibacterial activity.
resultsWe have re-examined this issue by performing a cheminformatics analysis of the literature data available in the ChEMBL database. The physicochemical properties of compounds with a recorded activity in an antibacterial assay were calculated and compared to two other datasets extracted from ChEMBL, marketed antibacterials and drugs marketed for other therapeutic indications. The chemical class of the compounds and Gram-negative/Gram-positive profile were also investigated. This analysis shows that compounds with antibacterial activity have physicochemical property profiles very similar to other drug classes.
conclusionsThe observation that many current antibacterial drugs lie in regions of physicochemical property space far from conventional small molecule therapeutics is correct. However, the inference that a compound must lie in one of these "outlier" regions in order to possess antibacterial activity is not supported by our analysis. Graphical abstract.
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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.