583-39-1, Name is 2-Mercaptobenzimidazole, molecular formula is C7H6N2S, Quality Control of 2-Mercaptobenzimidazole, belongs to imidazoles-derivatives compound, is a common compound. In a patnet, author is Alloui, Mebarka, once mentioned the new application about 583-39-1.
Imidazole derivatives as angiotensin II AT1 receptor blockers: Benchmarks, drug-like calculations and quantitative structure-activity relationships modeling
We performed benchmark studies on the molecular geometry, electron properties and vibrational analysis of imidazole using semi-empirical, density functional theory and post Hartree-Fock methods. These studies validated the use of AM1 for the treatment of larger systems. Then, we treated the structural, physical and chemical relationships for a series of imidazole derivatives acting as angiotensin II AT1 receptor blockers using AM1. QSAR studies were done for these imidazole derivatives using a combination of various physicochemical descriptors. A multiple linear regression procedure was used to design the relationships between molecular descriptor and the activity of imidazole derivatives. Results validate the derived QSAR model. (C) 2018 Elsevier B.V. All rights reserved.
We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 583-39-1. The above is the message from the blog manager. Quality Control of 2-Mercaptobenzimidazole.