AFFINImeter Software: from its Beginnings to Future Trends- A Literature review

Abstract

INTRODUCTION Molecular recognition is one of the most important events in biological systems. The characterization of molecular interactions is a fascinating research area, fundamental to understand the function of biomolecules and to develop new bioactive compounds (drugs). The comprehensive thermodynamic and kinetic characterization of a binding event requires monitoring the formation of the complex(es) as a function of the concentration of reactants or as a function of time, and the subsequent data analysis using a mathematical model that describes the binding process monitored. During the past years, the growing interest in the field of molecular recognition has been reflected in a considerable improvement in the instruments sensitivity of well stablished biophysical techniques and in the development of new ones; yet less has been investigated in the development and optimization of new analysis tools for a reliable understanding of binding data, and here is where the software AFFINImeter has stepped in. AFFINImeter [1] is a shareware software for the general analysis of binding experiments. It was born upon the need of a tool for the analysis of isothermal titration calorimetry (ITC) measurements that could handle complex interactions in an easyto-use way. Since it was released as a cloud-based software in 2015 many scientist from academic labs, research institutes and pharmaceutical companies are being benefited from the advanced tools that AFFINImeter offers for the reliable characterization of interactions by ITC; at present, AFFINImeter has been adapted for the analysis of titration data generated from different biophysical techniques popular in drug design and discovery programs such as nuclear magnetic resonance (NMR), general spectrometric methods or Microscale thermophoresis (MST).