Chapter 7 - Quantitative structure-activity relationship and its application to cancer therapy

Abstract

In the analysis of molecules and drugs today, computational techniques have become increasingly relied upon as the core of efficient advancement. Of these techniques, molecular modeling and, more specifically, quantitative structure-activity relationships (QSARs) have been extremely influential in assessing the qualities of molecules and their application to the real world. The QSAR modeling technique evaluates the properties, structure, and biological activity to provide further insight into the function and utility of chemical studies. Furthermore, QSAR has a variety of applications in the pharmaceutical world, allowing researchers to understand the mechanisms of biological structures and their receptors. It allows for the study of the interaction between drugs and their targets using public databases to further identify chemicals with specific properties. QSAR provides researchers and pharmacists with low-cost and efficient methods to discover innovative molecules and treatments for diseases like cancer. Though subject to some concerns, the rapid development of QSAR alongside the improvement in technology elicits a promising future.