The aim of this study was to analyze the relationship between electronic structure and anti Bovine Viral Diarrhea Virus activity in a series of imidazo[1,2-a] pyrrolo [2,3-c]pyridine derivatives. The electronic structure and the local atomic reactivity indices were obtained with...
Open access
Research Article10.9734/BMRJ/2014/9577
We report the results of the search of quantum-chemical model-based relationships between electronic structure and anti-inflammatory and antiproliferative activity against HL60 and T-cells of a group of 6,7-substituted-5,8-quinolinequinones. The wave functions and local atomic re...
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Research Article10.9734/IRJPAC/2014/7876
In this paper we present the results of a formal quantum-chemical analysis of the relationships between the electronic structure and In vitro cytotoxicity activity (measured in a cell-based assay using two different human tumor cell lines derived from human prostate cancer and le...
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Research Article10.9734/ACSJ/2014/8691
Maurice N'bouké, Sèlonou Gautier Kankinou, Assongba Gaston Kpotin, Juan S. Gómez-Jeria, Salomé D. S. Kpoviessi & Guy S. Y. Atohoun·Asian Journal of Chemical Sciences·2023
Bacillus subtilis is a bacterium that has demonstrated its efficacy across various domains, including industry, agriculture, and commerce, owing to its protective, inhibitory, and biological mechanisms against specific microbes. However, at high concentrations, it can lead to foo...
Open access
Research Article10.9734/ajocs/2023/v13i6275
A DFT study of the relationships between electronic structure and inhibitory effects of caffeine derivatives on neoplastic transformation was carried out. We obtain one statistically significant equation (R=0.97, R²= 0.94, adjusted R²= 0.92, F(7,34) =71.40 (p<0.00001), SD=0.14...
Open access
Research Article10.9734/IRJPAC/2017/32694