Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO2-Capture: Discovery, Development, and Mechanism
R Yousefi, TJ Struble, JL Payne, M Vishe… - Journal of the …, 2018 - ACS Publications
Cyclic carbamates are a common feature of small-molecule therapeutics, offering a
constrained hydrogen bond acceptor that is both polar and sterically small. Methods for their …
constrained hydrogen bond acceptor that is both polar and sterically small. Methods for their …
Docking, interaction fingerprint, and three-dimensional quantitative structure–activity relationship (3D-QSAR) of Sigma1 receptor ligands, analogs of the …
JL Velázquez-Libera, G Rossino… - Frontiers in …, 2019 - frontiersin.org
The human Sigma1 receptor (S1R), which has been identified as a target with an important
role in neuropsychological disorders, was first crystallized 3 years ago. Since S1R structure …
role in neuropsychological disorders, was first crystallized 3 years ago. Since S1R structure …
Estimation of 2D autocorrelation descriptors and 2D Monte Carlo descriptors as a tool to build up predictive models for acetylcholinesterase (AChE) inhibitory activity
Two approaches of building up predictive models for acetylcholinesterase inhibitory activity
of a broad dataset of 403 compounds, 2D Autocorrelation descriptors and 2D Monte Carlo …
of a broad dataset of 403 compounds, 2D Autocorrelation descriptors and 2D Monte Carlo …
New Insights into the opening of the occluded ligand-binding pocket of Sigma1 Receptor: binding of a novel bivalent RC-33 derivative
G Rossino, I Orellana, J Caballero… - Journal of Chemical …, 2019 - ACS Publications
Significant progresses have been made to understand the molecular basis of the Sigma1
receptor (S1R) operating in normal and pathological conditions. S1R is a transmembrane …
receptor (S1R) operating in normal and pathological conditions. S1R is a transmembrane …
Theoretical Evaluation of Novel Thermolysin Inhibitors from Bacillus thermoproteolyticus. Possible Antibacterial Agents
The search for new antibacterial agents that could decrease bacterial resistance is a subject
in continuous development. Gram-negative and Gram-positive bacteria possess a group of …
in continuous development. Gram-negative and Gram-positive bacteria possess a group of …
Machine Learning Modeling Predicting Vascular Endothelial Growth Factor Receptor 2 (VEGFR2) Inhibitors Structure-Activity Relationships Using Quantum DFT …
The vascular endothelial growth factor receptor 2 (VEGFR2) is considered the most
important marker for endothelial cell development. In particular, this receptor is directly …
important marker for endothelial cell development. In particular, this receptor is directly …
José Luis Velázquez-Libera 1, Giacomo Rossino 2, Carlos Navarro-Retamal 1, Simona Collina 2 and Julio Caballero
TC Ramalho, AI Khlebnikov… - In Silico Methods for Drug …, 2020 - books.google.com
The Sigma receptors (SR) have attracted the interest of the scientific community thoroughly
in the last decades owing to their potential role in cell survival and function modulation …
in the last decades owing to their potential role in cell survival and function modulation …
SIGMA 1 RECEPTOR (S1R) MODULATORS AS A THERAPEUTIC STRATEGY FOR PROMOTING NEUROPLASTICITY. DESIGN AND SYNTHESIS OF NOVEL MONO …
G Rossino - 2020 - iris.unipv.it
During my three-years-project I focused on the development of novel mono-and bi-valent
Sigma1 Receptor (S1R) modulators to address two main objectives:(i) the obtainment of …
Sigma1 Receptor (S1R) modulators to address two main objectives:(i) the obtainment of …