Simone Brogi


Simone Brogi got his “Laurea” in Biological Sciences in 2005. During his Master training, he started the studies in the field of molecular modeling. He obtained the Ph.D. degree in Pharmaceutical Sciences in 2010. During his Ph.D. research activity, he used different computational techniques applied to diverse drug targets with relevant achievements. Actually, Dr. Brogi is a research fellow at the Department of Biotechnology, Chemistry, and Pharmacy at University of Siena, Italy. Dr. Brogi is the head of Molecular Modeling Unit in the research group directed by Prof. Giuseppe Campiani. The scientific production of Dr. Brogi consists of over 45 papers published in international peer-reviewed journals, one patent, and one book chapter. Dr. Brogi research activity has been mainly focused on computational approaches in drug discovery with particular attention to lead optimization in terms of pharmacokinetics properties and metabolic stability. The computational research of Dr. Brogi includes the discovery and optimization of small molecules as potential antalgic agents, antitumor compounds, and also with the therapeutic potential for the treatment of neurodegenerative, cardiovascular, and parasitic diseases. These interests include target selection and the rational design of innovative drugs, the application and validation of novel computational strategies, and the study of important structure-function relationships. Specifically, Dr. Brogi has sound knowledge of various computational methodologies: High throughput Docking (HTD), High throughput QM-Polarized Ligand Docking (HTQPLD), 3D-QSAR and 3D-QSSR models, Molecular Dynamics, QM/MM calculations, in silico prediction of ADME+T Properties. Furthermore, Dr. Brogi possesses expertise in GPU calculation by means of CUDA technology applied to Molecular Dynamics software.

Research Interests:

Pharmacophore modeling

Molecular docking

Homology modeling

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