Prof. Gabriele Cruciani – scientific director
Gabriele is full professor of Organic Chemistry since 2005 at the Chemistry Department of the University of Perugia (Italy), the scientific director of the Human Cytochrome Consortium Initiative, a Consortium of eight drug companies which cooperate in studying the problems on human metabolism of drugs, and amember of the following Editorial Boards: Journal of Computer Aided Molecular Design, QSAR and Combinatorial Sciences and Drug Discovery Today. His scientific activity is documented by over 130 papers, all published on international journals, and by the book “Molecular Interaction Fields” (Wyley-VCH Editor).
Thanks to the outstanding results of his research activity, he has received the “Hansch Award” during the Gordon Conference of the QSAR and Modeling Society in Tilton (USA) in 2001 for his researches on QSAR and computer chemistry, the Research award from the Organic Division of the Italian Chemical Society in 2005, and the “Novartis Lecturship Award” in 2009 at Basel and Boston.
Dr. Sara Tortorella – R&D chemometrics, MALDI-IMS and LCMS lipidomics
Sara graduated in Chemistry at the University of Perugia (Italy) and in 2017 she received her PhD in Biotechnology in the group of Cheminformatics and Molecular Modeling led by Prof. Gabriele Cruciani. During her studies she worked at photovoltaic materials optimization at Northwestern University (Chicago, US) under the supervision of Prof. Tobin J. Marks, in the Pharmacoinformatics group of the Barcelona Biomedical Research Park (Barcelona, Spain) under the supervision of Prof. Manuel Pastor, and in the Bioimaging and DMPK group of GlaxoSmithKline (Philadelphia, US) under the supervision of Dr. Steve Castellino. Her expertise is in the use of chemometric and cheminformatic tools for molecular modeling and optimization, molecular descriptor design, and lipidomics.
Giulia Sorbi – R&D software design and development
Giulia graduated in Computer Science at the University of Perugia (Italy) in 2017 with a thesis entitled “Data analysis of Twitter accounts for fake followers detection”. Interested in data mining and analysis, her thesis work involved the application of supervised and semi-supervised machine learning techniques. Her main expertise is in software development with different programming languages, like C, C++, Java, and Python. Her current focus lies in designing and developing software using the cross-platform framework Qt.
Dr. Lydia Siragusa – R&D chemometrics, bioinformatics
Lydia obtained her PhD degree in Organic Chemistry on 2013 at University of Perugia (Italy), under the supervision of Prof. Gabriele Cruciani. During the PhD her study was focused on the development of the GRID MIFs-based (Molecular Interaction Fields) methods applied to protein-protein comparison and the subsequent development of the BioGPS software for comparing protein active sites. During her PhD, she spent 10 months at the Institute for Research for Biomedicine (IRB, Barcelona, Spain), under the supervision of Patrick Aloy in the Structural Bioinformatic and Network Biology laboratory. Her job focuses on the development and the applications of methodologies for characterizing and comparing protein binding sites based on the GRID MIFs. Such methods are applied for rationalizing drug side-effects, ligand selectivity, catalysis specificity, de novo drug discovery, chemical food safety and polypharmacology through a 3D structural point of view.
Dr. Ida Autiero – R&D bioinformatics, molecular modeling
Ida received a master degree in Pharmaceutical Chemistry at the University of Napoli, “Federico II” and a PhD in Computational Biology in 2011 under the supervision of Prof Giovanni Colonna. From 2011 to 2016 she did post-doctoral works at the Italian National Council of Research (CNR) working in collaboration with the groups of Dr. Michele Saviano, Dr. Roberto Improta and Dr. Menotti Ruvo. From 2016 to 2017, she worked at the King Abdullah University of Science & Technology, in Saudi Arabia, whit Prof. Luigi Cavallo. Ida’s research area lies in between computational methods applied to biologically relevant systems and structural investigations of small molecules, proteins, nucleic acids and drug/target complexes. Her main areas of interest are: systems biology, molecular modeling, docking, molecular dynamics studies, structures and molecules interactions.
Dr. Federico Falchi - R&D cheminformatics, molecular modeling
Federico obtained his PhD degree in Medicinal Chemistry on 2010 at “La Sapienza” University of Rome (Italy), under the supervision of Prof. Bruno Botta. In the last five years he did post-doctoral works for the Istituto Italiano di Tecnologia IIT of Genova (Italy). The research activity was performed in the Medicinal Chemistry group of Prof. Maurizio Recanatini and Prof. Andrea Cavalli, Dipartimento di Farmacia e Biotecnologie, University of Bologna, Italy. His main areas of interest are: virtual screening, pharmacophore modelling, 3D-QSAR, molecular docking, molecular dynamics, drug design.
Dr. Aurora Valeri – R&D experimental lipidomics, toxicity
Aurora graduated in Chemistry and Pharmaceutical Technologies at University of Siena (Italy) and in 2008 she received her PhD in Molecular and Cellular Physiology, Pharmacology and Toxicology, under the supervision of Dr. Federica Pessina. During her PhD she spent 7 months at the Department of Pharmacology of the University of Oxford (UK), under the supervision of Prof. Keith Brain, working on calcium imaging contractions studies. From 2008 to 2011 Aurora gained post-doc positions respectively at University of Turin, with Prof. Giampiero Muccioli, and at the University of Siena with Prof. Massimo Valoti; she also followed a challenging pilot project on ATP detection by microelectrodes at the College of Medical and Dental Sciences of the University of Birmingham (UK) with Prof. Keith Brain. From 2013 to 2017 she did post-doctoral works at the University of Perugia working in Perugia in the MIUR “FIRB-Futuro in Ricerca 2010” Program Project RBFR10X5OO under the supervision of Dr. Laura Goracci. Aurora’s main areas of interest are: toxicology (especially metabolomics, by use of mass spectrometry), physiology and cellular biology.
Simone Moretti – LCMS, analytical techniques
Simone obtained his master degree in Organic Chemistry on 2018 at University of Perugia (Italy), under the supervision of Prof. David Michele Cappelletti with a thesis entitled “Determination of aminoglycosides in milk samples by paper spray ionization coupled to high resolution mass spectrometry”. During the work of thesis his study was focused on the development of new analytical approach for the determination of vet drug residues by emerging techniques such as Paper Spray Ionization coupled to high resolution mass spectrometry. He worked in E.RI.C.A. laboratory focused in the environmental field and then in Aboca Spa. Currently he’s collaborating with the Istituto Zooprofilattico Sperimentale dell’Umbria e delle Marche (R&D dep.), a national official lab for the analysis of food by animal origin. His skills are related to the sample preparation and instrumental analysis mainly based on the mass spectrometry technique (low and high resolution).