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

Abstract

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.

Papaverinol-N-Oxide: A Microbial Biotransformation Product of Papaverine with Potential Antidiabetic and Antiobesity Activity Unveiled with In Silico Screening

“…Blood–brain barrier penetration is crucial because it ensures that only substances that act on the central nervous system (CNS) can pass through it and that substances that have no effect on the CNS should not interact [ 32 ]. The BOILED- Egg curve can be used to forecast drugs’ GI absorption (HIA) and BBB penetration [ 33 ]. There are two areas: one for BBB penetration (yolk) and another for the GI absorption zone (HIA).…”

Synthesis of potent MDA-MB 231 breast cancer drug molecules from single step

“…The quarternization of sp 2 nitrogen of pyridine and imidazole nucleus is the important method in the synthesis of ionic liquids [4][5][6][7][8][9][10] . Pyridine derivatives are very important and useful moieties to reach wide popularity in the Bronsted acidic ionic liquids to prepare the drug molecules [11][12][13][14][15][16][17][18] . Binary mixture are prepared from 1-butuyl-3-methyl imidazolium cation with acetate anion and Doxorubicin or Mitoxantrone and its cytotoxicity is studied against human colorectal adenocarcinoma CaCo-2 cells and showed higher cytotoxicity than the Colo 320 HSRcells 19,20 .…”

4,4’-(Thiophene-2,5-diylbis(ethyne-2,1-diyl))bis(1-methyl-1-pyridinium) Iodide

“…Quaternary pyridinium salts are a very well-known and versatile class of substances, with an extraordinary variety of applications in chemistry, biochemistry and material science [1,2], ranging from antibacterial [3] and surfactant agents [4] to catalysts [5] and electrochemical devices [6], among others. In fact, through the functionalization of the pyridyl ring either on the nitrogen or on the carbon atoms, different chemical and electronic properties can be provided, depending on the substituents introduced.…”