ArticleChemical science2019
Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery.
Article in Chemical science, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 47 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.
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Who cites it
47 citing papers in PubMed.
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- A platinum butterfly effect: small changes turn an anticancer drug into a non-toxic metalloantibiotic with in vivo efficacy.npj antimicrobials and resistance · 2026Article
- Playing with Structural Parameters in the Design of Ruthenium(II)-Inorganic chemistry · 2025Article
- Modular Synthesis of Unsymmetrical 1,1'-Disubstituted Ferrocenes by Sequential Suzuki-Miyaura Cross-Coupling of 1,1'-Diborylferrocene.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Ferrocenyl Quinoline-Benzimidazole Hybrids: A Multistage Strategy to Combat Drug-Resistant Malaria.Inorganic chemistry · 2025Article
- Quinizarin Gold(I) N-Heterocyclic Carbene Complexes with Synergistic Activity Against Anthracycline-Resistant Leukaemia Cells: Synthesis and Biological Activity Studies.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Metal compounds as antimicrobial agents: 'smart' approaches for discovering new effective treatments.RSC advances · 2025Review
- Enhancing the therapeutical potential of metalloantibiotics using nano-based delivery systems.Beilstein journal of nanotechnology · 2025Review
- Copper(II) and Zinc(II) Complexes with Bacterial Prodigiosin Are Targeting Site III of Bovine Serum Albumin and Acting as DNA Minor Groove Binders.International journal of molecular sciences · 2024Article
- Iridium(III) carbene complexes as potent girdin inhibitors against metastatic cancers.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Metals in Cancer Research: Beyond Platinum Metallodrugs.ACS central science · 2024Review
- Discovery of Ruthenium(II) Metallocompound and Olaparib Synergy for Cancer Combination Therapy.Journal of medicinal chemistry · 2023Article
- Ruthenium(II) Polypyridyl Complexes and Metronidazole Derivatives: A Powerful Combination in the Design of Photoresponsive Antibacterial Agents Effective under Hypoxic Conditions.Inorganic chemistry · 2023Article
- Metals to combat antimicrobial resistance.Nature reviews. Chemistry · 2023Review
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- Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.Chemical science · 2023Article
- Scale-Up of a Rh-Catalyzed Asymmetric spOrganic process research & development · 2022Review
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- A Ruthenium(II) Polypyridyl Complex Disrupts Actin Cytoskeleton Assembly and Blocks Cytokinesis.Angewandte Chemie (Weinheim an der Bergstrasse, Germany) · 2022Article
Corrections and comments
- Erratum issued
- Erratum issued
Authors and funding
6 authors.
Funding
Abstract
Fragment-based drug discovery (FBDD) is a powerful strategy for the identification of new bioactive molecules. FBDD relies on fragment libraries, generally of modest size, but of high chemical diversity. Although good chemical diversity in FBDD libraries has been achieved in many respects, achieving shape diversity - particularly fragments with three-dimensional (3D) structures - has remained challenging. A recent analysis revealed that >75% of all conventional, organic fragments are predominantly 1D or 2D in shape. However, 3D fragments are desired because molecular shape is one of the most important factors in molecular recognition by a biomolecule. To address this challenge, the use of inert metal complexes, so-called 'metallofragments' (mFs), to construct a 3D fragment library is introduced. A modest library of 71 compounds has been prepared with rich shape diversity as gauged by normalized principle moment of inertia (PMI) analysis. PMI analysis shows that these metallofragments occupy an area of fragment space that is unique and highly underrepresented when compared to conventional organic fragment libraries that are comprised of orders of magnitude more molecules. The potential value of this metallofragment library is demonstrated by screening against several different types of proteins, including an antiviral, an antibacterial, and an anticancer target. The suitability of the metallofragments for future hit-to-lead development was validated through the determination of IC
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Registered trials
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