To simulate for design: promising technology for anti-influenza industry

The development of molecules, for therapeutic or diagnostic use, remains a major challenge in biology. Although this research benefit from the growing knowledge of the physiological and pathological phenomena, at the molecular scale, the demand continues to grow because challenges of public health are significant (cancer(s), AIDS, neurodegenerative diseases, antibiotic resistance…). However, despite the diversity of approaches used, the number of new active molecules identified, remains relatively low. Therefore, the development of new methods, for increasing the efficiency and effectiveness of the design process appear necessary. The in silico molecular docking aims to predict the structure of a molecular complex from the isolated molecules, which is considerably easier to implement, cheaper and faster than the use of experimental methods. In this paper, our study was focused on an anti-influenza molecule: zanamivir; one of the neuraminidase inhibitors.