61292-27-1Relevant academic research and scientific papers
Synthesis and molecular docking studies of novel pyrimidine derivatives as potential antibacterial agents
Bai, Xue-Qian,Li, Chun-Shi,Cui, Ming-Yue,Song, Ze-Wen,Zhou, Xing-Yu,Zhang, Chao,Zhao, Yang,Zhang, Tian-Yi,Jiang, Tie-Yan
, p. 1165 - 1176 (2019/12/11)
Abstract: The present work describes the in vitro antibacterial evaluation of some new pyrimidine derivatives. Twenty-two target compounds were designed, synthesized and preliminarily explored for their antimicrobial activities. The antimicrobial assay revealed that some target compounds exhibited significantly inhibitory efficiencies toward bacteria and fungal including drug-resistant pathogens. Compound 7c presented the most potent inhibitory activities against Gram-positive bacteria (e.g., Staphylococcus aureus 4220), Gram-negative bacteria (e.g., Escherichia coli 1924) and the fungus Candida albicans 7535, with an MIC of 2.4?μmol/L. Compound 7c was also the most potent, with MICs of 2.4 or 4.8?μmol/L against four multidrug-resistant, Gram-positive bacterial strains. The toxicity evaluation of the compounds 7c, 10a, 19d and 26b was assessed in human normal liver cells (L02 cells). Molecular docking simulation and analysis suggested that compound 7c has a good interaction with the active cavities of dihydrofolate reductase (DHFR). In vitro enzyme study implied that compound 7c also displayed DHFR inhibition. Graphic abstract: [Figure not available: see fulltext.]
Novel aryloxy azolyl chalcones with potent activity against Mycobacterium tuberculosis H37Rv
Marrapu, Vijay K.,Chaturvedi, Vinita,Singh, Shubhra,Singh, Shyam,Sinha, Sudhir,Bhandari, Kalpana
experimental part, p. 4302 - 4310 (2011/11/13)
A series of twenty seven novel aryloxy azolyl chalcones were synthesized and evaluated in vitro for the growth inhibition of Mycobacterium tuberculosis H37Rv. Ten compounds from this series exhibited good activity with MIC in the range of 3.12-0.78 μg/mL
Design, synthesis, and biological evaluation of 4-(5-nitrofuran-2-yl)prop- 2-en-1-one derivatives as potent antitubercular agents
Tawari, Nilesh R.,Bairwa, Ranjeet,Ray,Rajan,Degani, Mariam S.
body text, p. 6175 - 6178 (2010/11/19)
Based on stereoelectronic feature analysis using density functional theory (DFT) at B3LYP/3-21G level, a series of 4-(5-nitrofuran-2-yl)prop-2-en-1-one derivatives with low LUMO energies (90/CC50: >1800). Thus, this study shows the potential of stereoelectronic property analysis in developing improved nitroaromatics as antitubercular agents.
