Synthesis, Characterization, Pharmacogenomics, and Molecular Simulation of Pyridinium Type of Ionic Liquids and Their Applications

• Published in: ACS omega Vol. 8; no. 4; pp. 4146 - 4155
• Main Authors: Tamilarasan, Ramalingam, Ganesan, Kilivelu, Subramani, Annadurai, Benazir Ali, Liyakath, Alam, Mohammed Mujahid, Mohammed, Amanullah
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 31.01.2023
• ISSN: 2470-1343; 2470-1343
• DOI: 10.1021/acsomega.2c07129

Substituted pyridinium bromides are prepared by conventional and solvent-free greener methods. The solvent-free solid-phase (greener) method is superior to the conventional method because of its nontoxic nature, simple reaction setup procedure, and twenty times less time consumption. Column chromatography and toxic organic solvents are avoided. Substituted pyridinium salts 1–2­(a–c) show excellent catalytic response in the preparation of β-amino carbonyl derivatives using the conventional approach. Pharmacokinetics is very important in target validation and in shifting a lead compound into a drug. The physicochemical properties discussed here can be used effectively in the drug designing candidate, which is a cumbersome process in clinical research. In addition, molecular simulations are demonstrated, and compounds 1–2­(a–c) possess the most potent VEGFR-2 kinase protein inhibitory activities, and most interestingly, compound 2a strongly binds and regulates the VEGFR-2 kinase activity in therapeutic approaches and cancer prevention.