Silvia Lovera
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View article: Identification of a Lipid-Exposed Extrahelical Binding Site for Positive Allosteric Modulators of the Dopamine D<sub>2</sub> Receptor
Identification of a Lipid-Exposed Extrahelical Binding Site for Positive Allosteric Modulators of the Dopamine D<sub>2</sub> Receptor Open
Recently, the first small-molecule positive allosteric modulators (PAMs) of the dopamine D2 receptor (D2R) were identified. The more potent PAM potentiated the effects of D2R signaling in vitro and in an in…
View article: Elucidation of the Mechanism of Partial Activation of EPAC1 Allosteric Modulators by Markov State Modelling
Elucidation of the Mechanism of Partial Activation of EPAC1 Allosteric Modulators by Markov State Modelling Open
The development of selective modulators of exchange protein activated by cAMP (EPAC1/RAPGEF3), which preferentially bind its cAMP-binding site, would pave the way for novel therapeutic interventions in cardiac, metabolic, inflammatory, and…
View article: Above-Filter Digestion Proteomics reveals drug targets and localizes ligand binding site
Above-Filter Digestion Proteomics reveals drug targets and localizes ligand binding site Open
While a number of efficient chemical proteomics methods are available for determining protein targets of pharmaceutical drugs, each approach exhibits its own 'blind spot' and development of complementary techniques is needed. Here, we intr…
View article: Elucidation of the mechanism of partial activation of EPAC1 allosteric modulators by Markov state modelling
Elucidation of the mechanism of partial activation of EPAC1 allosteric modulators by Markov state modelling Open
The development of selective modulators of exchange protein activated by cAMP (EPAC1/RAPGEF3) would pave the way for novel therapeutic interventions in cardiac, metabolic, inflammatory, and oncologic disorders.
View article: Deconstructing allostery by computational assessment of the binding determinants of allosteric PTP1B modulators
Deconstructing allostery by computational assessment of the binding determinants of allosteric PTP1B modulators Open
View article: Deconstructing Allostery: Computational Assessment of the Binding Determinants of Allosteric PTP1B Modulators
Deconstructing Allostery: Computational Assessment of the Binding Determinants of Allosteric PTP1B Modulators Open
It is currently challenging to predict whether fragment hits that do not bind to an orthosteric site could be elaborated into allosteric modulators, as in these cases binding does not necessarily translate into a functional effect. We prop…
View article: NaViA: a program for the visual analysis of complex mass spectra
NaViA: a program for the visual analysis of complex mass spectra Open
Motivation Native mass spectrometry is now a well-established method for the investigation of protein complexes, specifically their subunit stoichiometry and ligand binding properties. Recent advances allowing the analysis of complex mixtu…
View article: Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist
Crystal structure of dopamine D1 receptor in complex with G protein and a non-catechol agonist Open
View article: Reconstruction of apo A2A receptor activation pathways reveal ligand-competent intermediates and state-dependent cholesterol hotspots
Reconstruction of apo A2A receptor activation pathways reveal ligand-competent intermediates and state-dependent cholesterol hotspots Open
View article: Defining the architecture of KPC-2 Carbapenemase: identifying allosteric networks to fight antibiotics resistance
Defining the architecture of KPC-2 Carbapenemase: identifying allosteric networks to fight antibiotics resistance Open
View article: Conformational Selection and Induced Fit Mechanisms in the Binding of an Anticancer Drug to the c-Src Kinase
Conformational Selection and Induced Fit Mechanisms in the Binding of an Anticancer Drug to the c-Src Kinase Open
Understanding the conformational changes associated with the binding of small ligands to their biological targets is a fascinating and meaningful question in chemistry, biology and drug discovery. One of the most studied and important is t…
View article: Backbone Assignment of the Tyrosine Kinase Src Catalytic Domain
Backbone Assignment of the Tyrosine Kinase Src Catalytic Domain Open
View article: Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics
Towards a Molecular Understanding of the Link between Imatinib Resistance and Kinase Conformational Dynamics Open
Due to its inhibition of the Abl kinase domain in the BCR-ABL fusion protein, imatinib is strikingly effective in the initial stage of chronic myeloid leukemia with more than 90% of the patients showing complete remission. However, as in t…