Synthesis of novel 7-fluoro-3-substituted-1,2,4-triazolo[3,4-b]benzothiazoles (FTBs) as potent antifungal agents: molecular docking and in silico evaluation

Synthesis of novel 7-fluoro-3-substituted-1,2,4-triazolo[3,4-b]benzothiazoles (FTBs) as potent... A novel series of fluorinated 1,2,4-triazolo[3,4-b]benzothiazoles was synthesized by fusion of proven antifungal lead 1,2,4-triazole with flourinated benzothiazole nucleus exploiting lead hybridization strategy. Their in vitro antifungal assay against various phytopathogenic fungi revealed that a 2- or 3-chlorinated aryl group at the 3-position of the fused system yielded outstanding and remarkable results of fungitoxicity. Compounds 3b and 3c were found to inflict the best fungitoxicity against most of the test fungi (EC50 value as low as 0.24 mmoles/L) with results better than or comparable to standards. In silico molecular docking and Lipinskii indices were in agreement with the observed trend of antifungal activity. Moreover, the toxicity analysis showed that the compounds belong to class III of toxicity which is the same as that of the recommended standards used. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Research on Chemical Intermediates Springer Journals

Synthesis of novel 7-fluoro-3-substituted-1,2,4-triazolo[3,4-b]benzothiazoles (FTBs) as potent antifungal agents: molecular docking and in silico evaluation

Loading next page...
 
/lp/springer_journal/synthesis-of-novel-7-fluoro-3-substituted-1-2-4-triazolo-3-4-b-631OLhFvgB
Publisher
Springer Netherlands
Copyright
Copyright © 2016 by Springer Science+Business Media Dordrecht
Subject
Chemistry; Catalysis; Physical Chemistry; Inorganic Chemistry
ISSN
0922-6168
eISSN
1568-5675
D.O.I.
10.1007/s11164-016-2599-3
Publisher site
See Article on Publisher Site

Abstract

A novel series of fluorinated 1,2,4-triazolo[3,4-b]benzothiazoles was synthesized by fusion of proven antifungal lead 1,2,4-triazole with flourinated benzothiazole nucleus exploiting lead hybridization strategy. Their in vitro antifungal assay against various phytopathogenic fungi revealed that a 2- or 3-chlorinated aryl group at the 3-position of the fused system yielded outstanding and remarkable results of fungitoxicity. Compounds 3b and 3c were found to inflict the best fungitoxicity against most of the test fungi (EC50 value as low as 0.24 mmoles/L) with results better than or comparable to standards. In silico molecular docking and Lipinskii indices were in agreement with the observed trend of antifungal activity. Moreover, the toxicity analysis showed that the compounds belong to class III of toxicity which is the same as that of the recommended standards used.

Journal

Research on Chemical IntermediatesSpringer Journals

Published: Jun 21, 2016

References

You’re reading a free preview. Subscribe to read the entire article.


DeepDyve is your
personal research library

It’s your single place to instantly
discover and read the research
that matters to you.

Enjoy affordable access to
over 12 million articles from more than
10,000 peer-reviewed journals.

All for just $49/month

Explore the DeepDyve Library

Unlimited reading

Read as many articles as you need. Full articles with original layout, charts and figures. Read online, from anywhere.

Stay up to date

Keep up with your field with Personalized Recommendations and Follow Journals to get automatic updates.

Organize your research

It’s easy to organize your research with our built-in tools.

Your journals are on DeepDyve

Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.

All the latest content is available, no embargo periods.

See the journals in your area

DeepDyve Freelancer

DeepDyve Pro

Price
FREE
$49/month

$360/year
Save searches from Google Scholar, PubMed
Create lists to organize your research
Export lists, citations
Read DeepDyve articles
Abstract access only
Unlimited access to over
18 million full-text articles
Print
20 pages/month
PDF Discount
20% off