Výsledky vyhledávání - "Mebarka Alloui"

Imidazole derivatives as angiotensin II AT1 receptor blockers: Benchmarks, drug-like calculations and quantitative structure-activity relationships modeling

Autor: Mebarka Alloui, Majdi Hochlaf, Salah Belaidi, Hasna Othmani, Nejm-Eddine Jaidane

Publikováno v: Chemical Physics Letters. 696:70-78

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 treatmen

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2a262b837b15afb7334e0e2cd7f5e83f
https://doi.org/10.1016/j.cplett.2018.02.048

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QSAR investigations and structure-based virtual screening on a series of nitrobenzoxadiazole derivatives targeting human glutathione-S-transferases

Autor: Majdi Hochlaf, Ridha Ben Said, Mebarka Alloui, Roberto Linguerri, Salah Belaidi, Enfale Zerroug, Imane Almi

Publikováno v: Journal of Molecular Structure
Journal of Molecular Structure, 2020, 1211, 10p. ⟨10.1016/j.molstruc.2020.128015⟩

Quantitative structure-activity relationship (QSAR) models are useful tools for understanding the relation between biological activity and chemical structure, and for the design of new drugs. In this work, the performances of two QSAR approaches for

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87d3ef0b10a02bb02571758da65fa2ca
https://doi.org/10.1016/j.molstruc.2020.128015

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