ArticleJournal of the American Chemical Society2010
Targeting SDF-1/CXCL12 with a ligand that prevents activation of CXCR4 through structure-based drug design.
Article in Journal of the American Chemical Society, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 39 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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
39 citing papers in PubMed, 71 citations in OpenAlex.
- Targeting CCL2-CCR2 signaling pathway alleviates macrophage dysfunction in COPD via PI3K-AKT axis.Cell communication and signaling : CCS · 2024Article
- How Robust Is the Ligand Binding Transition State?Journal of the American Chemical Society · 2023Article
- Fragment-based drug discovery of small molecule ligands for the human chemokine CCL28.SLAS discovery : advancing life sciences R & D · 2023Article
- Structural Insights into Molecular Recognition by Human Chemokine CCL19.Biochemistry · 2022Article
- Trisubstituted 1,3,5-Triazines: The First Ligands of the sY12-Binding Pocket on Chemokine CXCL12.ACS medicinal chemistry letters · 2021Article
- High-Throughput Screening of a Functional Human CXCL12-CXCR4 Signaling Axis in a Genetically ModifiedFrontiers in molecular biosciences · 2020Article
- Discovery of 5,5'-Methylenedi-2,3-Cresotic Acid as a Potent Inhibitor of the Chemotactic Activity of the HMGB1·CXCL12 Heterocomplex Using Virtual Screening and NMR Validation.Frontiers in chemistry · 2020Article
- Chemokines in COPD: From Implication to Therapeutic Use.International journal of molecular sciences · 2019Review
- Development and Validation of 2D Difference Intensity Analysis for Chemical Library Screening by Protein-Detected NMR Spectroscopy.Chembiochem : a European journal of chemical biology · 2018Article
- Detecting Cell Surface Expression of the G Protein-Coupled Receptor CXCR4.Methods in molecular biology (Clifton, N.J.) · 2018Article
- Pharmacological modulation of C-X-C motif chemokine receptor 4 influences development of acute respiratory distress syndrome after lung ischaemia-reperfusion injury.Clinical and experimental pharmacology & physiology · 2018Article
- Chemokines from a Structural Perspective.International journal of molecular sciences · 2017Review
- CCR7 Sulfotyrosine Enhances CCL21 Binding.International journal of molecular sciences · 2017Article
- Structural basis for chemokine recognition by a G protein-coupled receptor and implications for receptor activation.Science signaling · 2017Article
- Crystallographic Structure of Truncated CCL21 and the Putative Sulfotyrosine-Binding Site.Biochemistry · 2016Article
- Chemokines and their receptors: insights from molecular modeling and crystallography.Current opinion in pharmacology · 2016Review
- A Requirement for Metamorphic Interconversion in the Antimicrobial Activity of Chemokine XCL1.Biochemistry · 2016Article
- Structure-Based Identification of Novel Ligands Targeting Multiple Sites within a Chemokine-G-Protein-Coupled-Receptor Interface.Journal of medicinal chemistry · 2016Article
- Preparation and Analysis of N-Terminal Chemokine Receptor Sulfopeptides Using Tyrosylprotein Sulfotransferase Enzymes.Methods in enzymology · 2016Article
- Experiment-Guided Molecular Modeling of Protein-Protein Complexes Involving GPCRs.Methods in molecular biology (Clifton, N.J.) · 2015Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 1 country.
Funding
Abstract
CXCL12 is an attractive target for clinical therapy because of its involvement in autoimmune diseases, cancer growth, metastasis, and neovascularization. Tyrosine sulfation at three positions in the CXCR4 N-terminus is crucial for specific, high-affinity CXCL12 binding. An NMR structure of the complex between the CXCL12 dimer and a sulfotyrosine-containing CXCR4 fragment enabled high-throughput in silico screening for inhibitors of the chemokine-receptor interface. A total of 1.4 million compounds from the ZINC database were docked into a cleft on the CXCL12 surface normally occupied by sulfotyrosine 21 (sY21), and five were selected for experimental screening. NMR titrations with CXCL12 revealed that four of the compounds occupy the sY21 site, one of which binds with a K(d) of 64 microM. This compound selectively inhibits SDF1-induced CXCR4 signaling in THP1 cells. Our results suggest that sulfotyrosine recognition sites can be targeted for the development of novel chemokine inhibitors.
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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.