An important property that has been extensively studied in quantitative structure activityrelationship (QSAR) is the chromatographic retention index. QSAR study is suggested for theprediction of retention index of alkanes and alkenes compounds. Modeling of the retention indexof alkanes and alkenes compounds as a function of molecular structures was established bydifferent chemometrics methods. ...

background and objectives: hbha and mtb32c have been isolated from culture supernatants of mycobacterium tu- berculosis (m. tuberculosis) and mycobacterium bovis (m. bovis) and their immunogenicity previously studies have been confirmed. in this study, capability of constructed vector containing two mycobacterial immunodaminant antigens (mt- b32c-hbha), in producing new chimeric protein under t...

despite a quite short early history, computational drug design and discovery methods can now be efficient in reducing costs and speeding up drug developing procedure. melanocortin-4 receptor (mc4r) is a g protein-coupled receptor implicated in the regulation of body weight. despite its clinical reputation, there is a lack of in-depth knowledge about structure and behavior of mc4r in lipid bilay...

The paper presents a molecular modeling and docking studies on the interactions between natural αand β-cyclodextrin and the main biocompounds from Compositae family plants. Both vacuum and water periodic box conditions were used for the docking experiments. A comparative study on the formation and stability of complex obtained with non-oxidized/oxidized forms of biocompounds was performed. The ...