Pharmacophore combination as a useful strategy to discover new antitubercular agents
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F14%3A00427628" target="_blank" >RIV/61388963:_____/14:00427628 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1007/s00044-013-0645-x" target="_blank" >http://dx.doi.org/10.1007/s00044-013-0645-x</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s00044-013-0645-x" target="_blank" >10.1007/s00044-013-0645-x</a>
Alternative languages
Result language
angličtina
Original language name
Pharmacophore combination as a useful strategy to discover new antitubercular agents
Original language description
The present study is aimed at combining two well-known pharmacophores (pyrazoline and benzoxazole nucleus) to design and synthesize a series of substituted pyrazoline-based benzoxazole derivatives. In vitro antitubercular evaluation against Mycobacteriumtuberculosis H37Rv, multidrug-resistant TB (MDR-TB) and extensively drug-resistant TB (XDR-TB) strains showed that most of the target compounds displayed potent activity (MIC similar to 1.25-25 mu g/mL) where few compounds were found to be better than isoniazid against MDR-TB (MIC = 3.25 mu g/mL) and XDR-TB (MIC = 12.5 mu g/mL). Cytotoxicity assay of these active compounds in VERO cell lines displayed good selectivity index. In order to gain insights into the plausible binding motifs, the target compounds were docked into enoyl-acyl carrier protein reductase, a molecular target of isoniazid. All the docked compounds occupied the same hydrophobic binding pocket and interacted mostly by dispersion interactions. Contribution of the three
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Medicinal Chemistry Research
ISSN
1054-2523
e-ISSN
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Volume of the periodical
23
Issue of the periodical within the volume
1
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
370-381
UT code for WoS article
000329607500033
EID of the result in the Scopus database
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