Das, Rudra Narayan published the artcilePredictive in silico Modeling of Ionic Liquids toward Inhibition of the Acetyl Cholinesterase Enzyme of Electrophorus electricus: A Predictive Toxicology Approach, Synthetic Route of 17281-59-3, the publication is Industrial & Engineering Chemistry Research (2014), 53(2), 1020-1032, database is CAplus.
Chems. are the essential components of the industry for maneuvering the required need of the living ecosystem. Ionic liquids are a group of promising novel chems. with potential usefulness toward various industrial applications, although they are not entirely devoid of hazardous outcomes. The present study is an attempt to investigate the chem. attributes of a wide variety of 292 ionic liquids toward their inhibitory potential of acetyl cholinesterase enzyme of elec. eel through the development of predictive regression and classification-based quant. math. models in the light of the OECD guidelines. Mol. docking studies have addnl. corroborated the results. Hydrophilicity, hydrophobicity, branching, and pos. charged N-species were observed to be the major chem. contributors to such toxicity. The docking studies chiefly portrayed the π-cationic type interaction of the cationic N+ atom with the Phe 288, Phe 290, and Trp 23 residues of the acyl binding pocket to be responsible for enzyme inhibition.
Industrial & Engineering Chemistry Research published new progress about 17281-59-3. 17281-59-3 belongs to pyridine-derivatives, auxiliary class Pyridine,Nitrile,Salt, name is 1-(Cyanomethyl)pyridin-1-ium chloride, and the molecular formula is C7H7ClN2, Synthetic Route of 17281-59-3.
Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem