Georg Thieme Verlag KG
Drug Research
,  volume 71 ,  issue 03 ,  pages 149-156

Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids

Publication type: Journal Article
Publication date: 2020-12-07
Georg Thieme Verlag KG
scimago Q3
wos Q3
SJR: 0.415
CiteScore: 4.0
Impact factor: 2.1
ISSN: 21949379, 21949387
DOI:  10.1055/a-1296-7751
PubMed ID:  33285581
Drug Discovery
General Medicine
Abstract

The in vitro antimicrobial properties of some chalcones (1a–1c ) and chalcone tethred 1,4-disubstituted 1,2,3-triazoles (2a–2u) towards different microbial strains viz. Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa, Aspergillus niger and Candida albicans are reported. Compounds 2g and 2u exhibited better potency than the standard Fluconazole with MIC values of 0.0063 µmol/mL and 0.0068 µmol/mL, respectively. Furthermore, molecular docking was performed to investigate the binding modes of two potent compounds 2q and 2g with E. coli topoisomerase II DNA gyrase B and C. albicans lanosterol 14α-demethylase, respectively. Based on these results, a statistically significant quantitative structure activity relationship (QSAR) model was successfully summarized for antibacterial activity against B. subtilis.

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GOST Copy
Yadav P., Lal K., Kumar A. Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids // Drug Research. 2020. Vol. 71. No. 03. pp. 149-156.
GOST all authors (up to 50) Copy
Yadav P., Lal K., Kumar A. Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids // Drug Research. 2020. Vol. 71. No. 03. pp. 149-156.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1055/a-1296-7751
UR - https://doi.org/10.1055/a-1296-7751
TI - Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids
T2 - Drug Research
AU - Yadav, Pinki
AU - Lal, Kashmiri
AU - Kumar, Ashwani
PY - 2020
DA - 2020/12/07
PB - Georg Thieme Verlag KG
SP - 149-156
IS - 03
VL - 71
PMID - 33285581
SN - 2194-9379
SN - 2194-9387
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2020_Yadav,
author = {Pinki Yadav and Kashmiri Lal and Ashwani Kumar},
title = {Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids},
journal = {Drug Research},
year = {2020},
volume = {71},
publisher = {Georg Thieme Verlag KG},
month = {dec},
url = {https://doi.org/10.1055/a-1296-7751},
number = {03},
pages = {149--156},
doi = {10.1055/a-1296-7751}
}
MLA
Cite this
MLA Copy
Yadav, Pinki, et al. “Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids.” Drug Research, vol. 71, no. 03, Dec. 2020, pp. 149-156. https://doi.org/10.1055/a-1296-7751.