
Marta Filizola, PhD
About Me
Dr. Filizola holds the Sharon & Frederick A. Klingenstein-Nathan G. Kase, MD Professorship and is the Dean of the Graduate School of Biomedical Sciences (GSBS). She is a dedicated leader in computational biophysics of membrane proteins, with over 25 years of experience applying methods of computational and theoretical chemistry to biochemical and biomedical problems, as well as to rational drug design. A native of Italy, Dr. Filizola received her Bachelor’s and Master’s degrees in Chemistry from the University Federico II in Naples. She earned her PhD in Computational Chemistry from the Second University of Naples, conducting most of her doctoral studies at the Department of Chemical Engineering of the Polytechnic University of Catalonia in Barcelona, Spain. She went on to complete postdoctoral training in Computational Biophysics at the Molecular Research Institute in California. Dr. Filizola is the author of several patents and over 135 peer-reviewed publications in the field of computational biophysics. Currently, she is a tenured Full Professor in the Department of Pharmacological Sciences, the Department of Neuroscience, and the Department of Artificial Intelligence and Human Health. In her role of GSBS Dean (since 2016), Dr. Filizola participates in all school-wide decisions and strategic planning related to graduate education and postdoctoral training. Specifically, she oversees two PhD programs (Biomedical Sciences and Neuroscience), one MD/PhD program (jointly with the Dean of Medical Education), three Master’s programs in biomedical sciences, and various non-degree pipeline programs, all while maintaining the highest academic and ethical standards for the faculty and trainees.
Dr. Filizola’s research program primarily focuses on gaining rigorous mechanistic insights into the structure, dynamics, and function of important classes of membrane proteins and prominent drug targets, including G Protein-Coupled Receptors (GPCRs), transporters, channels, and beta3 integrins, for the purpose of drug discovery. To achieve these goals, Dr. Filizola's lab employs a variety of computational structural biology tools and rational drug design approaches, ranging from molecular modeling, bioinformatics, and cheminformatics, to molecular dynamics simulations, metadynamics, free-energy perturbations, and artificial intelligence/machine learning techniques. Dr. Filizola’s computational methodologies are closely intertwined with collaborative experimental investigations to provide new and biologically relevant insights into signal transduction processes triggered by molecular recognition, giving rise to new hypotheses to guide further experimental inquiry. A special effort in Dr. Filizola's lab has been devoted to the subfamily of opioid receptors to discover/design novel painkillers with reduced abuse liability and other adverse effects, as well as to beta3 integrins towards the discovery of noveltherapeutics to treat renal, hematologic, neoplastic, bone, and/or fibrotic diseases. For more information, please visit the Filizola Laboratory website.
Language
Position
Research Topics
Addiction, Bioinformatics, Biophysics, Computational Biology, Computer Simulation, Drug Design and Discovery, Integrins, Mathematical and Computational Biology, Membrane Proteins/Channels, Opioid/Cannabinoid Receptors, Protein Complexes, Protein Structure/Function, Receptors, Signal Transduction, Structural Biology, Theoretical Biology, Theoretical Biophysics, Transporters
Multi-Disciplinary Training Areas
Artificial Intelligence and Emerging Technologies in Medicine [AIET], Disease Mechanisms and Therapeutics (DMT), Neuroscience [NEU]
About Me
Dr. Filizola holds the Sharon & Frederick A. Klingenstein-Nathan G. Kase, MD Professorship and is the Dean of the Graduate School of Biomedical Sciences (GSBS). She is a dedicated leader in computational biophysics of membrane proteins, with over 25 years of experience applying methods of computational and theoretical chemistry to biochemical and biomedical problems, as well as to rational drug design. A native of Italy, Dr. Filizola received her Bachelor’s and Master’s degrees in Chemistry from the University Federico II in Naples. She earned her PhD in Computational Chemistry from the Second University of Naples, conducting most of her doctoral studies at the Department of Chemical Engineering of the Polytechnic University of Catalonia in Barcelona, Spain. She went on to complete postdoctoral training in Computational Biophysics at the Molecular Research Institute in California. Dr. Filizola is the author of several patents and over 135 peer-reviewed publications in the field of computational biophysics. Currently, she is a tenured Full Professor in the Department of Pharmacological Sciences, the Department of Neuroscience, and the Department of Artificial Intelligence and Human Health. In her role of GSBS Dean (since 2016), Dr. Filizola participates in all school-wide decisions and strategic planning related to graduate education and postdoctoral training. Specifically, she oversees two PhD programs (Biomedical Sciences and Neuroscience), one MD/PhD program (jointly with the Dean of Medical Education), three Master’s programs in biomedical sciences, and various non-degree pipeline programs, all while maintaining the highest academic and ethical standards for the faculty and trainees.
Dr. Filizola’s research program primarily focuses on gaining rigorous mechanistic insights into the structure, dynamics, and function of important classes of membrane proteins and prominent drug targets, including G Protein-Coupled Receptors (GPCRs), transporters, channels, and beta3 integrins, for the purpose of drug discovery. To achieve these goals, Dr. Filizola's lab employs a variety of computational structural biology tools and rational drug design approaches, ranging from molecular modeling, bioinformatics, and cheminformatics, to molecular dynamics simulations, metadynamics, free-energy perturbations, and artificial intelligence/machine learning techniques. Dr. Filizola’s computational methodologies are closely intertwined with collaborative experimental investigations to provide new and biologically relevant insights into signal transduction processes triggered by molecular recognition, giving rise to new hypotheses to guide further experimental inquiry. A special effort in Dr. Filizola's lab has been devoted to the subfamily of opioid receptors to discover/design novel painkillers with reduced abuse liability and other adverse effects, as well as to beta3 integrins towards the discovery of noveltherapeutics to treat renal, hematologic, neoplastic, bone, and/or fibrotic diseases. For more information, please visit the Filizola Laboratory website.
Language
Position
Research Topics
Addiction, Bioinformatics, Biophysics, Computational Biology, Computer Simulation, Drug Design and Discovery, Integrins, Mathematical and Computational Biology, Membrane Proteins/Channels, Opioid/Cannabinoid Receptors, Protein Complexes, Protein Structure/Function, Receptors, Signal Transduction, Structural Biology, Theoretical Biology, Theoretical Biophysics, Transporters
Multi-Disciplinary Training Areas
Artificial Intelligence and Emerging Technologies in Medicine [AIET], Disease Mechanisms and Therapeutics (DMT), Neuroscience [NEU]
Video
Education
BS, University of Naples 'Federico II'
MS, University of Naples 'Federico II'
PhD, II University of Naples
Postdoc, Molecular Research Institute
Awards
2023
Jacobi Medallion
Icahn School of Medicine at Mount Sinai
2023
Ellis S. Grollman Lectureship in Pharmaceutical Sciences
University of Maryland
2018
Sharon and Frederick Klingenstein/Nathan Kase, M.D. Professorship
Icahn School of Medicine at Mount Sinai
2017
Delta Omega Public Health Honorary Induction
Delta Omega Honor Society
2016
ISQBP Loew Lectureship
International Society of Quantum Biology and Pharmacology
2008
The Doctor Harold and Golden Lamport Award for Excellence in Basic Research
Mount Sinai School of Medicine
1999
Title of European Doctor in Biotechnology
European Association for Higher Education in Biotechnology
Research
Locations
Publications
Selected Publications
- Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways. David Aranda-García, Tomasz Maciej Stepniewski, Mariona Torrens-Fontanals, Adrian García-Recio, Marta Lopez-Balastegui, Brian Medel-Lacruz, Adrián Morales-Pastor, Alejandro Peralta-García, Miguel Dieguez-Eceolaza, David Sotillo-Nuñez, Tianyi Ding, Matthäus Drabek, Célien Jacquemard, Jakub Jakowiecki, Willem Jespers, Mireia Jiménez-Rosés, Víctor Jun-Yu-Lim, Alessandro Nicoli, Urszula Orzel, Aida Shahraki, Johanna K.S. Tiemann, Vicente Ledesma-Martin, Francho Nerín-Fonz, Sergio Suárez-Dou, Oriol Canal, Gáspár Pándy-Szekeres, Jiafei Mao, David E. Gloriam, Esther Kellenberger, Dorota Latek, Ramon Guixà-González, Hugo Gutiérrez-de-Terán, Irina G. Tikhonova, Peter W. Hildebrand, Marta Filizola, M. Madan Babu, Antonella Di Pizio, Slawomir Filipek, Peter Kolb, Arnau Cordomi, Toni Giorgino, Maria Marti-Solano, Jana Selent. Nature Communications
- Structural basis for saxitoxin congener binding and neutralization by anuran saxiphilins. Sandra Zakrzewska, Samantha A. Nixon, Zhou Chen, Holly S. Hajare, Elizabeth R. Park, John V. Mulcahy, Kandis M. Arlinghaus, Eduard Neu, Kirill Konovalov, Davide Provasi, Tod A. Leighfield, Marta Filizola, J. Du Bois, Daniel L. Minor. Nature Communications
- Synthesis and Characterization of Photoswitchable Covalent Ligands for the β<sub>2</sub>-Adrenoceptor. Ulrike Wirth, Eduard Neu, Davide Provasi, Steffen Feustel, Maximilian F. Schmidt, Harald Hübner, Dorothée Weikert, Marta Filizola, Burkhard König, Peter Gmeiner. Angewandte Chemie - International Edition