Computational Phenotypic Drug Discovery for Anticancer Chemotherapy: PTML Modeling of Multi-Cell Inhibitors of Colorectal Cancer Cell Lines

Dr. Alejandro Speck Planche obtained his Bachelor’s Degree in Chemistry (Suma Cum Laude) from the University of Oriente (Santiago de Cuba, Cuba) in July 2005. He had a 1-year research stay (2007–2008) as a young researcher at the Institute of Chemistry, University of São Paulo, Brazil. Subsequent research studies followed at the University of Santiago de Compostela in Spain (MSc. Science and Technology of Colloids and Interfaces, 2014, Suma Cum Laude) and at the University of Porto in Portugal (PhD. in Chemistry, 2015, Approved with Distinction/Approved with Honors/Suma Cum Laude). He has worked as a Postdoctoral Research Fellow at the Department of Chemistry and Biochemistry, University of Porto (January 2016–May 2017). He has also worked as a Juan de la Cierva Postdoctoral Researcher (May 2017–May 2019) at the Research Program on Biomedical Informatics (GRIB), Hospital del Mar Medical Research Institute (IMIM), in Barcelona, Spain. After holding a position (May 2019–March 2020) as an Associate Professor at the Department of Chemistry, Institute of Pharmacy, I.M. Sechenov First Moscow State Medical University (Moscow, Russian Federation), he was a Visiting Researcher at the Federal University of Paraíba (Brazil) and Professor at Universidad San Francisco de Quito (Ecuador). Currently, he is a Visiting Researcher at the Department of Chemistry and Biochemistry, University of Porto (Portugal).

Prof. Dr. M. Natália D. S. Cordeiro completed her Ph.D. in Theoretical Chemistry at the University of Porto (Portugal), with trainees at both the Autonomous University of Barcelona (Spain) and the University of Pisa (Italy). In 2003, she became an Associate Professor at the Department of Chemistry and Biochemistry—Faculty of Sciences of the University of Porto, and now heads the “Cheminformatics and Materials” (QUIMAT) research group at the Associated Laboratory for Green Chemistry (LAQV-REQUIMTE). The research of her group covers a wide variety of problems ranging from nanomaterials to catalysis, including drug and materials design, plus toxicology. Equally varied as the research topics are the methods employed to study them, which involve molecular simulations as quantum–mechanical calculations and even machine learning tools.