Lack of specificity and subsequent therapeutic effectiveness of antimicrobial and antitumoral
drugs is a common difficulty in therapy. The aim of this study is to investigate, both by experimental
and computational methods, the antitumoral and antimicrobial properties of a series of synthesized
imidazole-pyridine derivatives. Interaction with three targets was discussed: Dickerson-Drew dodecamer
(PDB id 2ADU), G-quadruplex DNA string (PDB id 2F8U) and DNA strain in complex with
dioxygenase (PDB id 3S5A). Docking energies were computed and represented graphically. On them, a
QSAR model was developed in order to further investigate the structure-activity relationship. Results
showed that synthesized compounds have antitumoral and antimicrobial properties. Computational
results agreed with the experimental data.
Characterizing the Binding of G-Quadruplex DNA to Insulin by Single Molecule and Bulk Ensemble Methods
