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Chromanyl-isoxazolidines as Antibacterial agents: Synthesis, Biological Evaluation, Quantitative Structure Activity Relationship, and Molecular Docking Studies.
- Source :
-
Chemical biology & drug design [Chem Biol Drug Des] 2016 Feb; Vol. 87 (2), pp. 213-23. Date of Electronic Publication: 2015 Oct 07. - Publication Year :
- 2016
-
Abstract
- Regio- and stereoselective 1,3-dipolar cycloadditions of C-(chrom-4-one-3-yl)-N-phenylnitrones (N) with different mono-substituted, disubstituted, and cyclic dipolarophiles were carried out to obtain substituted N-phenyl-3'-(chrom-4-one-3-yl)-isoxazolidines (1-40). All the synthesized compounds were assayed for their in vitro antibacterial activity and display significant inhibitory potential; in particular, compound 32 exhibited good inhibitory activity against Salmonella typhymurium-1 & Salmonella typhymurium-2 with minimum inhibitory concentration value of 1.56 μg/mL and also showed good potential against methicillin-resistant Staphylococcus aureus with minimum inhibitory concentration 3.12 μg/mL. Quantitative structure activity relationship investigations with stepwise multiple linear regression analysis and docking simulation studies have been performed for validation of the observed antibacterial potential of the investigated compounds for determination of the most important parameters regulating antibacterial activities.<br /> (© 2015 John Wiley & Sons A/S.)
- Subjects :
- Anti-Bacterial Agents chemistry
Anti-Bacterial Agents pharmacology
Binding Sites
Catalytic Domain
DNA Topoisomerases, Type II chemistry
DNA Topoisomerases, Type II metabolism
Hydrogen Bonding
Methicillin-Resistant Staphylococcus aureus drug effects
Oxazoles chemical synthesis
Oxazoles pharmacology
Salmonella typhimurium drug effects
Stereoisomerism
Anti-Bacterial Agents chemical synthesis
Chromones chemistry
Molecular Docking Simulation
Oxazoles chemistry
Quantitative Structure-Activity Relationship
Subjects
Details
- Language :
- English
- ISSN :
- 1747-0285
- Volume :
- 87
- Issue :
- 2
- Database :
- MEDLINE
- Journal :
- Chemical biology & drug design
- Publication Type :
- Academic Journal
- Accession number :
- 26301627
- Full Text :
- https://doi.org/10.1111/cbdd.12653