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Marta Filizola, PhD
img_Marta Filizola
DEAN FOR THE GRADUATE SCHOOL OF BIOMEDICAL SCIENCES
PROFESSOR | Pharmacological Sciences
PROFESSOR | Neuroscience
PROFESSOR | Artificial Intelligence and Human Health
212-659-8690
email
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 Area
Artificial Intelligence and Emerging Technologies in Medicine [AIET], Disease Mechanisms and Therapeutics (DMT)
Mechanistic Insights into GPCR Dimerization/Oligomerization
The lab is committed to providing a rigorous mechanistic insight into the spatio-temporal organization of GPCRs in living cells at a level of molecular detail that is unattainable using current experimental techniques alone, but is required for an ultimate understanding of the role of GPCR oligomerization in receptor function. For more information, go to: https://filizolalab.org
Structure-Function Relationships of beta3 Integrins
The lab’s interest in these systems stems from the exciting computational challenges they pose, and the opportunity to develop and/or apply cutting-edge computational approaches that will render accurate representations of the dynamic allosteric mechanisms regulating integrin function, for the purpose of discovering new therapeutics. For more information, go to: https://filizolalab.org
Harnessing the Power of Artificial Intelligence and Machine Learning to Boost CNS Drug Discovery
To further enhance the speed and efficiency of existing drug discovery efforts for central nervous system disorders, the Filizola lab is exploring generative deep learning architectures for the de novo design of customized small molecules that employ transfer learning for pre-training and hybrid ligand-based and structure-based schemes for reinforcement learning. Additionally, we are developing transfer learning-enabled strategies for efficient in silico screening of ultra-large chemical libraries to identify ligands with desired pharmacological profiles using dense or graph convolutional neural network models. For more information, go to: https://filizolalab.org
Integrative and Information-Driven Modeling of Biomolecular Complexes
In an effort to provide a testable structural context to the kinetics and allostery of G protein-coupled receptor-mediated transducer activation, the Filizola lab continues to enhance a novel Bayesian integrative modeling framework that combines computational data from metadynamics, maximum caliber principle, Markov state models, transition path theory, and transfer entropy analysis with experimental data from various techniques, including – but not limited to – pulsed hydrogen deuterium exchange mass spectrometry (HDX-MS), tryptophane-induced quenching (TrIQ), single-molecule fluorescence resonance energy transfer (sm-FRET), double electron-electron resonance (DEER), and cryo-EM. For more information, go to: https://filizolalab.org
Molecular Modeling and Enhanced Molecular Dynamics Simulations of Membrane Proteins
Under the auspices of continued NIH funding, the Filizola lab contributes to the design, testing, and implementation of innovative computational strategies to build improved molecular models of various membrane proteins, including G Protein-Coupled Receptors (GPCRs), channels, transportes, and beta3 integrins, and to study, more efficiently, the conformational plasticity and dynamical nature of liganded or unliganded, single or interacting, receptors within their natural lipid environment. For more information, go to: https://filizolalab.org

BS, University of Naples 'Federico II'

MS, University of Naples 'Federico II'

PhD, II University of Naples

Postdoc, Molecular Research Institute

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

141
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

Fine-Tuned Deep Transfer Learning Models for Large Screenings of Safer Drugs Targeting Class A GPCRs. Davide Provasi, Marta Filizola. Biochemistry

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

View All Publications

Biomedical Data Science Initiative Faculty: Dean Marta Filizola

Icahn (East) Building Floor 16 Room 20F

1425 Madison Ave

New York, NY 10029

212-659-8690

Physicians and scientists on the faculty of the Icahn School of Medicine at Mount Sinai often interact with pharmaceutical, device, biotechnology companies, and other outside entities to improve patient care, develop new therapies and achieve scientific breakthroughs. In order to promote an ethical and transparent environment for conducting research, providing clinical care and teaching, Mount Sinai requires that salaried faculty inform the School of their outside financial relationships.

Dr. Filizola has not yet completed reporting of Industry relationships.

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