Synthesis and QSAR studies of some novel disubstituted 1,2,4-triazoles as antimicrobial agents

Siva S. Panda

doi:10.1007/s00044-013-0686-1

Synthesis and QSAR studies of some novel disubstituted 1,2,4-triazoles as antimicrobial agents

Siva S. Panda

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

Disubstituted 1,2,4-triazoles 3a-k, 4a-k, and 6a-k have been synthesized from anthranilic acid and nicotinic acid, respectively, through a multi-step reaction sequence via their hydrazides. Synthesized compounds were evaluated for their in vitro antimicrobial activity against two gram-positive bacteria (S. aureus and B. subtilis), three gram-negative bacteria (E. coli, S. typhi, and K. pneumonia) as well as four fungi (A. niger, A. fumigatus, A. flavus, and C. albicans). To explore computational approach, structure-activity relationships were generated statistically using the synthesized compounds and their respective quantitative values of biological activities. These models can be used in future for predicting antimicrobial activity on similar class of compounds.

Original language	English (US)
Pages (from-to)	848-861
Number of pages	14
Journal	Medicinal Chemistry Research
Volume	23
Issue number	2
DOIs	https://doi.org/10.1007/s00044-013-0686-1
State	Published - Feb 2014

Keywords

1,2,4-Triazoles
Antibacterial
Antifungal
Pyridine
QSAR
Quinazoline

ASJC Scopus subject areas

Pharmacology, Toxicology and Pharmaceutics(all)
Organic Chemistry

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title = "Synthesis and QSAR studies of some novel disubstituted 1,2,4-triazoles as antimicrobial agents",

abstract = "Disubstituted 1,2,4-triazoles 3a-k, 4a-k, and 6a-k have been synthesized from anthranilic acid and nicotinic acid, respectively, through a multi-step reaction sequence via their hydrazides. Synthesized compounds were evaluated for their in vitro antimicrobial activity against two gram-positive bacteria (S. aureus and B. subtilis), three gram-negative bacteria (E. coli, S. typhi, and K. pneumonia) as well as four fungi (A. niger, A. fumigatus, A. flavus, and C. albicans). To explore computational approach, structure-activity relationships were generated statistically using the synthesized compounds and their respective quantitative values of biological activities. These models can be used in future for predicting antimicrobial activity on similar class of compounds.",

keywords = "1,2,4-Triazoles, Antibacterial, Antifungal, Pyridine, QSAR, Quinazoline",

author = "Panda, {Siva S.}",

note = "Funding Information: Acknowledgments Siva S. Panda is thankful to UGC (New Delhi) for financial assistance. Authors also thank Girinath G. Pillai, Technical Consultant, Mumbai, India (2009) currently working as Research Scholar, University of Florida, Gainesville, FL, USA (2011) for his support in the prediction of QSAR models using freely accessible software. G.G. Pillai is grateful to Dr. Alexander Drijver, ChemAxon Kft., Hungary for Marvin Suite Licenses.",

year = "2014",

month = feb,

doi = "10.1007/s00044-013-0686-1",

language = "English (US)",

volume = "23",

pages = "848--861",

journal = "Medicinal Chemistry Research",

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AU - Panda, Siva S.

N1 - Funding Information: Acknowledgments Siva S. Panda is thankful to UGC (New Delhi) for financial assistance. Authors also thank Girinath G. Pillai, Technical Consultant, Mumbai, India (2009) currently working as Research Scholar, University of Florida, Gainesville, FL, USA (2011) for his support in the prediction of QSAR models using freely accessible software. G.G. Pillai is grateful to Dr. Alexander Drijver, ChemAxon Kft., Hungary for Marvin Suite Licenses.

PY - 2014/2

Y1 - 2014/2

N2 - Disubstituted 1,2,4-triazoles 3a-k, 4a-k, and 6a-k have been synthesized from anthranilic acid and nicotinic acid, respectively, through a multi-step reaction sequence via their hydrazides. Synthesized compounds were evaluated for their in vitro antimicrobial activity against two gram-positive bacteria (S. aureus and B. subtilis), three gram-negative bacteria (E. coli, S. typhi, and K. pneumonia) as well as four fungi (A. niger, A. fumigatus, A. flavus, and C. albicans). To explore computational approach, structure-activity relationships were generated statistically using the synthesized compounds and their respective quantitative values of biological activities. These models can be used in future for predicting antimicrobial activity on similar class of compounds.

AB - Disubstituted 1,2,4-triazoles 3a-k, 4a-k, and 6a-k have been synthesized from anthranilic acid and nicotinic acid, respectively, through a multi-step reaction sequence via their hydrazides. Synthesized compounds were evaluated for their in vitro antimicrobial activity against two gram-positive bacteria (S. aureus and B. subtilis), three gram-negative bacteria (E. coli, S. typhi, and K. pneumonia) as well as four fungi (A. niger, A. fumigatus, A. flavus, and C. albicans). To explore computational approach, structure-activity relationships were generated statistically using the synthesized compounds and their respective quantitative values of biological activities. These models can be used in future for predicting antimicrobial activity on similar class of compounds.

KW - 1,2,4-Triazoles

KW - Antibacterial

KW - Antifungal

KW - Pyridine

KW - QSAR

KW - Quinazoline

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Synthesis and QSAR studies of some novel disubstituted 1,2,4-triazoles as antimicrobial agents

Abstract

Keywords

ASJC Scopus subject areas

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