EXPERTISE AND CURRENT WORK INTERESTS

Teaching main interests: My current teaching interests include the organic, bioorganic, pharmaceutical and medicinal chemistry as well as “rational” drug design. More recently, I am also interested in the teaching of the molecular pharmacology and biochemistry.

Research main interests: My current research interests are in the area of drug discovery, specifically the development of new computational methods for chem-bio-informatics investigations. In this sense, I’m also interested in the development of novel molecular and macromolecular (proteins and nucleic acids) descriptors for using in the development of QSPR/QSAR, “rational” (computer-aided) drug design, characterization of molecular similarity, computational (virtual and in silico) screening, proteins and nucleic acids classification, macromolecule-drug interactions, folding degree description, and early pharmacokinetics and toxicity prediction. More recently, I am also interested in comparative modelling, and docking and scoring. These research areas (plus QSAR/QSPR) are powerful when used individually, but their true power is exploited when they are used together to provide a complete story of the interaction of a ligand with its receptor.

 

Head of Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit) and guest research at: Institut Universitari de Ciencia Molecular. Universitat de Valencia, Spain.