1. Catalytic response and molecular simulation studies in the development of synthetic routes in trimeric triaryl pyridinium type ionic liquids.
- Author
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Tamilarasan, Ramalingam, Subramani, Annadurai, Sasikumar, G., Ganapathi, Pandurangan, Karthikeyan, S., Ponnusamy, Sasikumar, Albukhaty, Salim, Mohammed, Mustafa K. A., Al-aqbi, Zaidon T., Al-Doghachi, Faris A. J., Ahmed, Duha S., and Taufiq-Yap, Yun Hin
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PYRIDINIUM compounds , *PROTEIN kinases , *MOLECULAR docking , *CANCER prevention , *IONIC liquids , *CANCER treatment - 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. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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