Many biochemical reactions are based on redox reactions. Therefore, the redox potential of
a chemical compound may be related to its therapeutic or physiological effects. The study of redox
properties of compounds is a domain of electrochemistry. The subject of this review is the relationship
between electrochemistry and medicinal chemistry, with a focus on quantifying these relationships.
A summary of the relevant achievements in the correlation between redox potential and structure, therapeutic
activity, resp., is presented. The first part of the review examines the applicability of QSPR for
the prediction of redox properties of medically important compounds. The second part brings the exhaustive
review of publications using redox potential as a molecular descriptor in QSAR of biological
activity. Despite the complexity of medicinal chemistry and biological reactions, it is possible to employ
redox potential in QSAR/QSPR. In many cases, this electrochemical parameter plays an essential
but rarely absolute role.
Keywords: Computational chemistry, electrochemistry, electron transfer, medicinal chemistry, QSAR, QSPR.
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