evaluation on potential inhibitors data: DFT and molecular modelling approaches.

Nine heterocyclic compounds were investigated using density functional theory, molecular operating environment software, material studio, swissparam (Swiss drug design) software. In this work, the descriptors generated from the optimized compounds proved to be efficient and explain the level of reactivity of the investigated compound. The developed quantitative structure activity relationship (QSAR) model was predictive and reliable.

Assessment of well water as a reservoir for extended-spectrum β-lactamases (ESBL) and carbapenem resistant from Iwo, Osun state, Nigeria.

Background And Objectives: Unsafe water supplies are of public health concern, especially in developing countries. This article aims to investigate the microbiological quality of water from eight Wells in Iwo and to explore for the extended-spectrum β-lactamase (ESBL) and carbapenemase genes contained in isolated enteric bacteria from in the water samples.

Materials And Methods: Bacterial isolation and identification were done using standard conventional methods.