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个人简介
Vítor Félix is graduated in Applied Chemistry (Organic Chemistry branch) by the Faculty of Sciences and Technology, New University of Lisbon (FCT-NOVA). He got his PhD in Chemistry from Instituto Superior Técnico (IST), Technical University of Lisbon (further merged with University of Lisbon) working in the structural characterisation of metal complexes by X-ray crystallography. In 1993, he joined the University of Aveiro and started his academic carrier as Assistant Professor in the Department of Chemistry. In 2000 he was appointed to the Associate Professor position.
Along the last two decades, he has devoted a significant effort to the structural and energetic characterisation of the binding between biologically relevant anions (i.e., halides and oxyanions) and a variety of receptors, including macrocycles and acyclic chiral hosts and more sophisticated molecular architectures such as interlocked structures, molecular stations and mixed-valence metal hosts, among others. The anion affinity of these receptors, determined by conventional (e.g., hydrogen bonds) and/or non-conventional interactions (such as halogen bonds or chalcogen bonds), was evaluated by the extensive use of Quantum Mechanics and Molecular Dynamics (MD) simulations. In this context, the Molecular Modelling and Computational Biophysics Group, under his leadership, the group has pioneered on the development of force field parameters to describe the interactions of a ChB-based macrocycle with halides in competitive aqueous solvent mixtures. On the other hand, the ability of XB-based systems to recognise and uptake halides in water was rationalised via classical MD simulations coupled with free energy calculations. These ground-breaking works open new perspectives for the design and development of new XB/ChB based molecules for use in health, green chemistry, structural biology, and other fields.
Within the broad scope of the anion supramolecular chemistry, another significant research area of interest is the theoretical understanding of the anion traffic through cellular membranes. In particular, towards the development of innovative channel replacement therapies for channelopathies, Félix’s research group has also been investigating several series of small-drug like molecules with recognised transport activity in lipid vesicles and in Cystic Fibrosis cell line models. These studies were performed with resort to MD simulations in membrane models and quantum descriptors, and allowed to establish quantitative structure-transport activity relationships. The MD simulations provided valuable structural and energetic insights on the interaction between the synthetic molecules and membrane models. The commitment with this research field continues with the development of more powerful transporters with the inclusion of pharmaceutical motifs in drug screening.
Félix’s group actively collaborates around of the world with experimental groups on edge research concerning molecular recognition processes. Detailed information about the research activity of the Molecular Modelling and Computational Biophysics Group can be found at http://molecular-modeling.dq.ua.pt/ .
研究兴趣
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Biomacromoleculesno. 7 (2023): 3380-3396
Jim Antony Thomas,Ahmed Zubi, Hawazin A Alnafisah,Simon Turega,Igor Marques,José R B Gomes,Vítor Félix
Paulo Vieira,Margarida Q Miranda,Igor Marques,Sílvia Carvalho,Li-Jun Chen,Ethan N W Howe, Carl Zhen, Claudia Y Leung,Michael J Spooner, Bárbara Morgado, Odete A B Cruz E Silva,Cristina Moiteiro,
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作者统计
#Papers: 295
#Citation: 8562
H-Index: 51
G-Index: 77
Sociability: 7
Diversity: 0
Activity: 1
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