Résumé:
Doxorubicin (DOX), an anthracycline, widely used as antineoplastic agent and shows a broad
range of antitumor activity, including acute leukemia, malignant lymphomas, breast cancer.
Despite of doxorubicin being potent anticancer therapeutic agent, its clinical usefulness is
limited due its cardiotoxicity. A number of mechanisms have been proposed for cardiotoxic
effects of DOX, including oxidative stress from free radical-induced myocardial injury,
mitochondrial damage, iron-dependent oxidative damage to macromolecules DNA,
accumulation of toxic metabolic in the cardiac tissues. Moreover, increased oxidative stress
and release of reactive oxygen radicals ROS, as well as antioxidant deficits, have been
suggested to play a major role in dox-induced cardiomyopathy. In recent years, there have
been growing interests in uses of natural antioxidants as a protective strategy against the
cardiovascular. Ascorbic acid is a potent water-soluble antioxidant that scavenges reactive
oxygen and nitrogen species and protects cells from oxidative damage. In the present work
we aim to study the chemical reactivity of vitamin C in complex with DOX .The complex was
studied using DFT at B3LYP level with 6-311++G(d,p) basis set. Molecular properties such
as ionization potential (I), electron affinity (A), chemical hardness (ɳ), chemical softness (S),
electronegativity (χ), chemical potential (μ) and electrophilicity index (ω) parameters were
determined via HOMO and LUMO energies of the complex.
