The present study aims to prepare and And Characterization of zein nanofibers with simvastatin-loaded in it by electrospinning method using a polymeric matrix prepared from zein solution containing simvastatin antibiotics. The physical, cellular properties and drug release kinetics of the fibers were studied. Fiber formation was investigated by implementing a scanning electron microscope (SEM).
View Article and Find Full Text PDFCurr Comput Aided Drug Des
October 2021
Background: In this study, we used a hierarchical approach to develop quantitative structure-activity relationship (QSAR) models for modeling physico-chemical properties of quinolone derivatives.
Objective: The relationship between some of the molecular descriptors with physic-chemical properties such as refractive index (n), polarizability (α) and HOMO-LUMO energy gap (ΔEH-L) was represented.
Materials And Methods: Quantum mechanical calculations using abinitio method at the #HF/6- 31++G** level were carried out to obtain the optimized geometry and then, the comprehensive set of molecular descriptors was computed by using the Dragon software.
Objectives: Quantitative structure activity relationship (QSAR) was used to study the partition coefficient of some quinolones and their derivatives.
Methods: These molecules are broad-spectrum antibiotic pharmaceutics. First, data were divided into two categories of train and test (validation) sets using a random selection method.