Abstract:
Ibuprofen belongs to a class of drugs called non-steroidal anti-inflammatory drugs (NSAIDs) with
various pharmacological effects. A set of spectroscopic (in-vitro) and molecular docking (in-silico)
studies were accounted to illustrate the binding mode of ibuprofen with calf thymus DNA (ct-DNA),
in order to predict its possibility to be a ‘DNA binder’ which is one of the features expected in
anticancer and antitumor drug designing. Both the UV-Visible and Fluorescence spectroscopic results
denote that, there is a drug-DNA complex formation with binding constants of 1.58 x 105 M-1 and 2
x 10-3 μl ng-1 respectively. These values suggest that ibuprofen having intercalative mode of
interaction with ct-DNA. As a confirmation of these results, it was further validated through relative
specific viscosity measurements of ct-DNA dug complex. It was revealed an increment while mixing
DNA with the drug in ascending order. Molecular docking studies further complemented the
experimental results.
