Catalytic response and molecular simulation studies in the development of synthetic routes in trimeric triaryl pyridinium type ionic liquids

Autor: Ramalingam Tamilarasan, Annadurai Subramani, G. Sasikumar, Pandurangan Ganapathi, S. Karthikeyan, Sasikumar Ponnusamy, Salim Albukhaty, Mustafa K. A. Mohammed, Zaidon T. Al-aqbi, Faris A. J. Al-Doghachi, Duha S. Ahmed, Yun Hin Taufiq-Yap
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Scientific Reports, Vol 13, Iss 1, Pp 1-9 (2023)
Druh dokumentu: article
ISSN: 2045-2322
DOI: 10.1038/s41598-023-31476-0
Popis: Abstract Under conventional and silica-supported Muffle furnace methods, water-soluble substituted trimeric triaryl pyridinium cations with various inorganic counter anions are synthesized. The solvent-free synthesis method is superior to the conventional method in terms of non-toxicity, quicker reaction times, ease of workup, and higher yields. Trimeric substituted pyridinium salts acted as excellent catalytic responses for the preparation of Gem-bisamide derivatives compared with available literature. To evaluate the molecular docking, benzyl/4-nitrobenzyl substituted triaryl pyridinium salt compounds with VEGFR-2 kinase were used with H-bonds, π–π stacking, salt bridges, and hydrophobic contacts. The results showed that the VEGFR-2 kinase protein had the most potent inhibitory activity. Intriguingly, the compound [NBTAPy]PF6 - had a strongly binds to VEGFR-2 kinase and controlled its activity in cancer treatment and prevention.
Databáze: Directory of Open Access Journals
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