Mai.M. Khalaf , Mohamed Gouda , Manal F. Abou Taleb , Hany M. Abd El-Lateef
{"title":"Antibacterial potential of dicyanomethylene-dihydrofuran-based fluorophores: In vitro evaluation and in silico molecular docking studies","authors":"Mai.M. Khalaf , Mohamed Gouda , Manal F. Abou Taleb , Hany M. Abd El-Lateef","doi":"10.1016/j.cplett.2025.141896","DOIUrl":null,"url":null,"abstract":"<div><div>Push-pull dicyanomethylene-dihydrofuran (DCDHF) symmetrical fluorophores were synthesized <em>via</em> 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 <strong>15</strong>, <strong>16</strong>, and <strong>18</strong> 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.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"863 ","pages":"Article 141896"},"PeriodicalIF":2.8000,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Physics Letters","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009261425000363","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
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.
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.