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Synthesis and biological activity of a styrylquinolinium derivative
1 , * 1 , 2 , 1 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , * 1
1  Department of Organic Chemistry, Faculty of Chemistry, The University of Plovdiv “Paisii Hilendarski”, 24 Tzar Assen Str., 4000 Plovdiv, Bulgaria
2  Department of Medical Physics and Biophysics, Faculty of Pharmacy, Medical University of Plovdiv, 4002 Plovdiv, Bulgaria
3  Bulgarian Academy of Sciences, Institute of Molecular Biology "Acad. Roumen Tsanev" Sofia, 10401 “15 Noemvri” Str., Bulgaria
4  Department of Chemistry, Faculty of Pharmacy, Medical University of Sofia, 2 Dunav Str, Sofia, 1000, Bulgaria
5  Department of Organic Chemistry, Faculty of Chemistry, Alzahra University, Tehran 19938-93973, Iran
6  Department of Chemistry, Faculty of Science, Islamic Azad University, Karaj Branch, P.O. Box: 31485-313, Karaj, Iran
7  Department of Microbiology and Biotechnology, Technological Faculty, University of Food Technologies, 4002 Plovdiv, Bulgaria
8  Department of Pharmacognosy, Faculty of Pharmacy, Medical University of Sofia, 1000 Sofia, Bulgaria
9  Instituto de Síntesis Orgánica (ISO) and Departamento de Química Orgánica, Facultad de Ciencias, Universidad de Alicante, Apdo., 99, 03080 Alicante, Spain
Academic Editor: Stanislav Ferdov

Abstract:

The application of styrylium dyes as organic nonlinear optical materials in several photonics fields has been studied for many years. Recently, the biological activity of styrylium dyes has also been examined, namely their antibacterial effects. Therefore, our primary objective was to synthesize a styrylium compound with an antibacterial effect. Knoevenagel condensation was used to obtain a new styrylquinolinium derivative. To verify its structure, spectroscopic methods such as IR, NMR (1H, 13C, COSY, HSQC, and HMBC), HRMS spectra, and X-ray studies were employed.

The compound's antibacterial and anti-inflammatory properties were also evaluated. It was found that the stytylium derivative had excellent antibacterial action against fungi, three Gram-negative strains, and five Gram-positive strains. The compound's most noticeable effects were against Pseudomonas aeruginosa and Escherichia coli. In addition, ex vivo immunohistochemistry was used to assess the compound's anti-inflammatory properties. The substance showed promising immunomodulatory and antimicrobial properties. It can be regarded as a regulated modification of the immune response, particularly in situations requiring local immunological activation, because of its capacity to both stimulate IL-1β and moderately decrease NOS3.

Furthermore, the biological activity was verified using molecular docking modeling. The compound's successful binding to the bacterial protein's active site was demonstrated by docking simulation, which corroborated the compound's antibacterial activity as reported in experiments.

Keywords: synthesis; styrylquinolinium salts; crystal structure; antimicrobial activity; anti-inflammatory effect
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