Development of selective DprE1 inhibitors: Design, synthesis, crystal structure and antitubercular activity of benzothiazolylpyrimidine-5-carboxamides
- Submitting institution
-
University of Wolverhampton
- Unit of assessment
- 12 - Engineering
- Output identifier
- 554
- Type
- D - Journal article
- DOI
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10.1016/j.ejmech.2015.04.011
- Title of journal
- European Journal of Medicinal Chemistry
- Article number
- -
- First page
- 30
- Volume
- 96
- Issue
- -
- ISSN
- 0223-5234
- Open access status
- Out of scope for open access requirements
- Month of publication
- April
- Year of publication
- 2015
- URL
-
-
- Supplementary information
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https://ars.els-cdn.com/content/image/1-s2.0-S0223523415002603-mmc1.doc
- Request cross-referral to
- -
- Output has been delayed by COVID-19
- No
- COVID-19 affected output statement
- -
- Forensic science
- No
- Criminology
- No
- Interdisciplinary
- No
- Number of additional authors
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8
- Research group(s)
-
-
- Proposed double-weighted
- No
- Reserve for an output with double weighting
- No
- Additional information
- This paper is novel in that new molecules were evaluated for antitubercular activity and were found to be potentially effective against mycobacterium tuberculosis. This paper is significant because the authors used a structure based drug discovery molecular field analysis model based on k-nearest neighbour simulated annealing to yield novel derivatives of benzothiazolylpyrimidine-5-carboxamides. This novel discovery has potential benefit in the pharmaceutical industry as a basis for lead compounds for treatment for tuberculosis. This paper has been deposited with the Cambridge Crystallographic Data Centre. The experiments are based on open access data-sets which can be repeated and verified by other researchers.
- Author contribution statement
- -
- Non-English
- No
- English abstract
- -