Synthesis, DFT investigation, ADME-T properties, molecular docking and molecular dynamics simulation of new α-aminophosphonate inhibitor targeting Mpro and …

R Kerkour, O Moumeni, N El houda Rabhi… - Journal of Molecular …, 2024 - Elsevier
A specific α-aminophosphonate molecule, namely diethyl (phenyl (4-pyridinylamino) methyl)
phosphonate (α-DAP), as a potential SARS-CoV-2 inhibitor, has been synthesized via a …

Development of new models to predict the corrosion inhibition efficiency as functions of some molecular descriptors using statistical analysis

N Chafai, H Salhi, A Hadjira, K Benbouguerra… - Journal of the Indian …, 2023 - Elsevier
Abstract 62 models have been proposed to predict the corrosion inhibition efficiency for a
wide variety of organic and inorganic compounds using the statistical analysis. In this …

[HTML][HTML] Phosphonates and Phosphonic Acids: New Promising Corrosion Inhibitors

N Chafai, K Benbouguerra - Introduction to Corrosion-Basics and …, 2023 - intechopen.com
In this chapter we present our published research results concerning the use of
phosphonates and phosphonic acids synthesized in our laboratory as corrosion inhibitors …