Evidence map›Paper›PMID 34342327›Full record

ReviewNatural product reports2022

Cheminformatic analysis of natural product-based drugs and chemical probes.

Samantha Stone, David J Newman, Steven L Colletti, Derek S Tan

Abstract readReview
In one paragraph

Review in Natural product reports, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
28citing papers in PubMed, 1 pooled it
–field-weighted citation impact
1 · What the graph read from it

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.

2 · The registry

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.

3 · Its place in the literature

Who cites it

28 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. Article
  3. Review
  4. Review
  5. Novel p-Hydroxybenzoic Acid Derivative Isolated fromAntibiotics (Basel, Switzerland) · 2025
    Article
  6. High-throughput protein crystallography to empower natural product-based drug discovery.Acta crystallographica. Section F, Structural biology communications · 2025
    Article
  7. Review
  8. Latin American Natural Product Database (LANaPDB): An Update.Journal of chemical information and modeling · 2024
    Article
  9. Article
  10. Article
  11. Review
  12. Review
  13. Cryptic Cerulenin Rearrangement in Ketosynthase Covalent Inhibition.Journal of the American Chemical Society · 2024
    Article
  14. Review
  15. Review
  16. Investigating the anti-obesity potential ofFrontiers in pharmacology · 2024
    Article
  17. Article
  18. Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors.

Samantha StoneChemical Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, 1275 York Avenue, New York 10021, USA. tand@mskcc.org.
David J NewmanNIH Special Volunteer, Wayne, PA 19087, USA.ORCID 0000-0002-4959-2428
Steven L CollettiZymergen, Inc., 430 E 29th St, New York 10016, USA.
Derek S TanChemical Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, 1275 York Avenue, New York 10021, USA. tand@mskcc.org.ORCID 0000-0002-7956-9659

Funding

X-RAY CRYSTALLOGRAPHYP30CA008748 · NCI · SLOAN-KETTERING INSTITUTE FOR CANCER RES · PI Hongbiao Carl Lekaye · 1985 to 2026
$347.4M
Predictive Models for Small-Molecule Accumulation in Gram-Negative BacteriaR01AI136795 · NIAID · SLOAN-KETTERING INST CAN RESEARCH · PI TAN, DEREK S, ZGURSKAYA, HELEN I · 2018 to 2022
$6.5M
NCI NIH HHS P30 CA008748NIAID NIH HHS R01 AI136795
6 · The paper itself

Abstract

Covering: 1981 to 2019Natural products continue to play a major role in drug discovery, with half of new chemical entities based structurally on a natural product. Herein, we report a cheminformatic analysis of the structural and physicochemical properties of natural product-based drugs in comparison to top-selling brand-name synthetic drugs, and a selection of chemical probes recently discovered from diversity-oriented synthesis libraries. In this analysis, natural product-based drugs covered a broad range of chemical space based on size, polarity, and three-dimensional structure. Natural product-based structures were also more prevalent in top-selling drugs of 2018 compared to 2006. Further, the drugs clustered well according to biosynthetic origins, but less so based on therapeutic classes. Macrocycles occupied distinctive and relatively underpopulated regions of chemical space, while chemical probes largely overlapped with synthetic drugs. This analysis highlights the continued opportunities to leverage natural products and their pharmacophores in modern drug discovery.

Indexed as

CheminformaticsDrug DiscoveryBiological ProductsBiological Products

Identifiers

PMID34342327
PMCPMC8792152

What OpenQuestion holds

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Registered trials

None linked

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.