Antibacterial potential of dicyanomethylene-dihydrofuran-based fluorophores: In vitro evaluation and in silico molecular docking studies

IF 3.1 3区 化学 Q3 CHEMISTRY, PHYSICAL Chemical Physics Letters Pub Date : 2025-03-16 Epub Date: 2025-01-15 DOI:10.1016/j.cplett.2025.141896
Mai.M. Khalaf , Mohamed Gouda , Manal F. Abou Taleb , Hany M. Abd El-Lateef
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Abstract

Push-pull dicyanomethylene-dihydrofuran (DCDHF) symmetrical fluorophores were synthesized via a Knoevenagel condensation reaction between the DCDHF skeleton and tertiary amine-comprising aromatic aldehyde. The absorbance spectra of the DCDHF chromophores displayed attractive extinction coefficients, which was affected by the arylvinyl bridge and donor amine moiety. The functional groups bonded to the tertiary amine affected the maximum absorption wavelength. The antibacterial efficiency of the synthesized DCDHF-based chromophores was studied. Compounds 15, 16, and 18 revealed sensible activities against Gram-positive and Gram-negative bacteria compared to Ampicillin as a standard reference. The binding connections to the (PDB:1LNZ) protein were studied by theoretical molecular docking stimulation.

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基于二氰亚甲基-二氢呋喃的荧光团的抗菌潜力:体外评价和硅分子对接研究
采用Knoevenagel缩合反应合成了推挽式二氰亚甲基-二氢呋喃对称荧光团(DCDHF)。DCDHF发色团的吸收光谱显示吸引消光系数,消光系数受芳基乙烯桥和给胺部分的影响。叔胺上的官能团影响最大吸收波长。研究了合成的dcdhf基发色团的抑菌效果。与氨苄西林相比,化合物15、16和18对革兰氏阳性和革兰氏阴性细菌具有明显的活性。通过理论分子对接刺激研究了与(PDB:1LNZ)蛋白的结合连接。
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来源期刊
Chemical Physics Letters
Chemical Physics Letters 化学-物理:原子、分子和化学物理
CiteScore
5.70
自引率
3.60%
发文量
798
审稿时长
33 days
期刊介绍: Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.
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