The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Accessing Active Fragments for Drug Discovery Utilising Nitroreductase Biocatalysis
Open accessPublished version of a preprint
Abstract
Biocatalysis has played a limited role in the early stages of drug discovery. This is often attributed to the limited substrate scope of enzymes not affording access to vast areas of novel chemical space. Here, we have shown a promiscuous nitroreductase enzyme (NR‐55) can be used to produce a panel of functionalised anilines from a diverse panel of aryl nitro starting materials. After screening on analytical scale, we show that sixteen substrates could be scaled to 1 mmol scale, with several poly‐functional anilines afforded with ease under the standard conditions. The aniline products were also screened for activity against several cell lines of interest, with modest activity observed for one compound. This study demonstrates the potential for nitroreductase biocatalysis to provide access to functional fragments under benign conditions.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Highly accurate protein structure prediction with AlphaFold
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., et al. (2021) · Nature · doi:10.1038/s41586-021-03819-2 · Cited by 43,764
Twenty years on: the impact of fragments on drug discovery
Erlanson, D. A., Fesik, S. W., Hubbard, R. E., Jahnke, W., & Jhoti, H. (2016) · Nature Reviews Drug Discovery · doi:10.1038/nrd.2016.109 · Cited by 1,000
Research works printed but not linked: 47
- 10.1038/s43586-021-00044-z · DOI
- 10.1038/s41929-019-0385-5 · DOI
- 10.1021/acscatal.9b04321 · DOI
- 10.1042/ETLS20200257 · DOI
- P. S. Narayanan A. Runthala Biocatal. Biotransform.2022 40 169–181. · DOI
- Aguiar-Pulido V., 2016, Evol. Bioinforma., 12, 5
- Hogg B. N., 2024, Angew. Chem. Int. Ed.
- 10.1002/anie.202006648 · DOI
- 10.1126/science.1188934 · DOI
- 10.1021/op4003483 · DOI
- 10.1039/C9CY00415G · DOI
- 10.1038/s41929-019-0341-4 · DOI
- 10.1038/s41929-021-00671-5 · DOI
- 10.1021/ja3010495 · DOI
- 10.1126/science.aay8484 · DOI
- 10.1001/jama.2020.1166 · DOI · Paper page
- 10.1039/D0SC04103C · DOI
- 10.1016/j.cbpa.2020.01.012 · DOI
- 10.1038/s41570-018-0055-1 · DOI
- 10.1021/jacsau.2c00415 · DOI
- 10.1021/acscatal.0c01888 · DOI
- 10.1038/s41557-023-01435-3 · DOI
- 10.1002/anie.201506783 · DOI
- 10.1038/nchem.217 · DOI
- 10.1038/nrd3926-c1 · DOI
- 10.4155/fmc-2016-0095 · DOI
- 10.1021/jm200187y · DOI
- 10.1002/9781119487043.ch12 · DOI
- 10.1021/acs.oprd.0c00464 · DOI
- 10.1016/j.crchbi.2022.100026 · DOI
- 10.1016/j.enzmictec.2007.10.009 · DOI
- 10.1038/s41467-023-41194-w · DOI
- 10.1002/cbic.202300846 · DOI
- Sokolova D., 2024, ChemRxiv.
- 10.1021/acssuschemeng.3c01204 · DOI
- 10.1021/acs.orglett.2c03246 · DOI
- 10.1002/em.2860060404 · DOI
- Kadlubar F. F., 1977, Cancer Res., 37, 805
- 10.1038/76783 · DOI
- 10.1515/BC.2002.104 · DOI
- 10.1017/S0033583512000108 · DOI
- 10.1158/1535-7163.MCT-15-0446 · DOI
- 10.1002/adsc.201900424 · DOI
- 10.1021/acs.oprd.6b00205 · DOI
- 10.1111/1751-7915.12309 · DOI
- Riss T. L., 2004, Assay Guidance Manual, 1
- 10.21769/BioProtoc.1984 · DOI
Metadata
- Authors
- Holder, L., Yuce, E., Oriomah, G., Jenkins, A., Reynisson, J., Winter, A., & Cosgrove, S. C.
- Affiliations
- Keele University (GB)
- Corresponding author
- Cosgrove, Sebastian C.
- Venue
- ChemBioChem
- Publisher
- Wiley
- Published
- 2024-08-22
- Volume
- 25
- Issue
- 18
- Pages
- e202400428-e202400428
- ISSN
- 1439-4227 (ISSN-L)
- 1439-7633
- OpenAlex
- W4400127364
- Cited by
- 2
- References
- 2
- Citations by year
- 2026: 2
- FWCI
- 0.27
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- Locations
- ChemBioChem (publishedVersion, cc-by)
- ChemRxiv (acceptedVersion, cc-by-nc)
- PubMed (publishedVersion)
- Funders
- Keele University
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Enzyme Catalysis and Immobilization
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Biotechnology › Enzyme Production and Characterization
- Physical Sciences › Chemistry › Organic Chemistry › Nanomaterials for catalytic reactions
- Keywords
- aryl nitro compounds, enzyme promiscuity, fragment-based drug discovery
- MeSH terms
- Aniline Compounds, Humans, Nitroreductases, Substrate Specificity, Molecular Structure, Cell Line, Tumor, Biocatalysis, Drug Discovery
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Accessing Active Fragments for Drug Discovery Utilising Nitroreductase Biocatalysis. https://app.cochat.ai/papers/10.1002/cbic.202400428
- The paper
- Holder, L., Yuce, E., Oriomah, G., Jenkins, A., Reynisson, J., Winter, A., & Cosgrove, S. C. (2024). Accessing Active Fragments for Drug Discovery Utilising Nitroreductase Biocatalysis. ChemBioChem. https://doi.org/10.1002/cbic.202400428
