Our research consists of the design of new chemical compounds, especially new drugs, using topological descriptors. The main task of our group has been the use of topological indices in reverse to the conventional, i.e. instead of predicting properties of molecules already existing, our group generates new molecules just from the existing properties, obtaining, thus, molecular fingerprints which enable the search for new compounds with improved features. Currently we use a large number of topological indices -most of them original- which allowed us to design and select new lead compounds in the following fields: Analgesics, antibacterials, hypolipidemics, hypoglycaemics, bronchodilators, antivirals, antihystaminics, antimalarials, antineoplastics and anti-Alzheimer. Moreover, good results have been obtained also in Green Chemistry by predicting reaction pathways, yields and times, which allows designing more sustainable and profitable chemical processes. These results demonstrate the great effectiveness of the topological method used, to the point that it could be considered as an alternative and independent way of describing molecular structures. The results of our research have also been reflected in more than 100 research articles published in international journals, book chapters, patents, conferences, congresses, etc.

Other research and experimental development on natural sciences and engineering