Larger size or novel structure molecules are always appreciated by all fields of experimental and computational science. Conversely, molecules with smaller size and simple structures are usually ignored with no explanation as to why. However, the vast majority of more diminutive molecules behave as a cornerstone in the synthesis of a bigger structural framework. Subsequently, we planned to uncover the interactions of small molecules towards macromolecules, and successfully presented the binding results of 2-aminopyridine and Isovanillin towards BSA through NMR techniques. STD epitope mapping and also the DOSY results provided evidence that Isovanillin remained closer to the binding cavity of protein. Titration experiments afforded 584 µM (0.584mM) and 487 µM (0.487 mM) dissociation constants for isovanillin and 2-aminopyridine respectively. Furthermore, changes in diffusion coefficient (with and without protein addition in DOSY spectra) were found to be 0.081 log (m2 s−1) and 0.096 log (m2 s−1) points for isovanillin and 2-aminopyridine respectively. Docking studies exhibit that these molecules can tie to site 1 (sub-area IIA) through the pi-pi interaction and hydrogen bonding with Trp213. Our results demonstrated that both compounds could be utilized as part of a transporter in the circulatory system and their extension-inspired compounds may be utilized in new drug design.
In the paper influence of electromagnetic field (200 MHz) on biosensor matrix component was shown. Specially designed test bench containing the scanner 3D with the robot was used for electromagnetic field monitoring. The scans of electromagnetic field distribution, before and behind sample were collected. Conformation change of studied protein was monitored by UV spectra. It indicates that fragmentation and aggregation of studied protein might occur with time. The stabilization effect caused by electromagnetic 200 MHz in protein solution was found. The effect was dose dependent (cumulative effect of electromagnetic field) and the differences in the absorption intensity between the control sample and samples after exposition were more visible with time.