Evidence map›Paper›PMID 26733473›Full record

ArticleBioorganic & medicinal chemistry letters2016

Three-dimensional QSAR analysis and design of new 1,2,4-oxadiazole antibacterials.

Erika Leemans, Kiran V Mahasenan, Malika Kumarasiri, Edward Spink, Derong Ding, Peter I O'Daniel, Marc A Boudreau, Elena Lastochkin, Sebastian A Testero, Takao Yamaguchi and 5 more

Abstract read
In one paragraph

Article in Bioorganic & medicinal chemistry letters, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.

0numbers the graph read from it
0cells of the map it votes in
14citing papers in PubMed
–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

14 citing papers in PubMed.

  1. Article
  2. A newFuture microbiology · 2025
    Article
  3. Article
  4. Review
  5. Article
  6. Article
  7. Article
  8. Unconventional Antibacterials and Adjuvants.Accounts of chemical research · 2021
    Article
  9. Article
  10. Article
  11. Novel 1,2,4-Oxadiazole Derivatives in Drug Discovery.Pharmaceuticals (Basel, Switzerland) · 2020
    Review
  12. Exploration of the Structural Space in 4(3Journal of medicinal chemistry · 2020
    Article
  13. Article
  14. The oxadiazole antibacterials.Current opinion in microbiology · 2016
    Review
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

15 authors.

Erika LeemansDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Kiran V MahasenanDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Malika KumarasiriDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Edward SpinkDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Derong DingDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Peter I O'DanielDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Marc A BoudreauDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Elena LastochkinDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Sebastian A TesteroDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Takao YamaguchiDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Mijoon LeeDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Dusan HesekDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Jed F FisherDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Mayland ChangDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA.
Shahriar MobasheryDepartment of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA. Electronic address: mobashery@nd.edu.

Funding

Novel oxadiazols for the treatment of drug-resistant gram-positive bacteriaR01AI090818 · NIAID · UNIVERSITY OF NOTRE DAME · PI CHANG, MAYLAND F, MOBASHERY, SHAHRIAR · 2010 to 2014
$5.0M
NIAID NIH HHS AI90818NIAID NIH HHS R01 AI090818
6 · The paper itself

Abstract

The oxadiazole antibacterials, a class of newly discovered compounds that are active against Gram-positive bacteria, target bacterial cell-wall biosynthesis by inhibition of a family of essential enzymes, the penicillin-binding proteins. Ligand-based 3D-QSAR analyses by comparative molecular field analysis (CoMFA), comparative molecular shape indices analysis (CoMSIA) and Field-Based 3D-QSAR evaluated a series of 102 members of this class. This series included inactive compounds as well as compounds that were moderately to strongly antibacterial against Staphylococcus aureus. Multiple models were constructed using different types of energy minimization and charge calculations. CoMFA derived contour maps successfully defined favored and disfavored regions of the molecules in terms of steric and electrostatic properties for substitution.

Indexed as

Quantitative Structure-Activity RelationshipAnti-Bacterial AgentsCell WallDrug DesignGram-Positive BacteriaMicrobial Sensitivity TestsMolecular ConformationOxadiazolesAnti-Bacterial AgentsOxadiazoles1,2,4-Oxadiazole3D-QSARAntibioticCoMFA

Identifiers

PMID26733473
PMCPMC4849414

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

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.