ISSN : ISSN No. 2472-1956
Quantitative Structure-Activity Relationships (QSAR) approaches involve the search for mathematic models that correlates a set of biological properties (or activities) from a series of analogues with their molecular features, also called “molecular descriptors”. These studies seek to understand how molecular features, previously identified, can influence the biological responses, allowing the design and future synthesis of potentially most active compounds. In this work we present the use of free and open source softwares to data processing in a 2D QSAR perspective, using a set of metronidazole-piperazine analogs with activity against S. aureus, a relatively common species of bacteria that has represented a serious public health problem, due their mechanism of resistance to drugs. The combination of different methodologies conduced to a robust and predictive QSAR model. These strategies can be used in programs of medicinal organic synthesis and drug design.