Andrea Cavalli
Istituto Italiano di Tecnologia
319 Papers
2.4K Citations
Andrea Cavalli is an academic researcher from Istituto Italiano di Tecnologia. The author has contributed to research in topics: Chemistry & Medicine. The author has an hindex of 60, co-authored 283 publications. Previous affiliations of Andrea Cavalli include University of Bologna & University of Lugano.
Chat about Author
Papers
Multi-Target-Directed Ligands To Combat Neurodegenerative Diseases
Andrea Cavalli,Maria Laura Bolognesi,Anna Minarini,Michela Rosini,Vincenzo Tumiatti,Maurizio Recanatini,Carlo Melchiorre +6 more
TL;DR: The aims of the present article are to discuss the role of ligand modification in the discovery of clinically efficacious drugs and the role that ligands endowed with outstanding in vitro selectivity have in this area.
1K
Role of Molecular Dynamics and Related Methods in Drug Discovery.
TL;DR: The theoretical background of MD and enhanced sampling methods is reviewed, focusing on free-energy perturbation, metadynamics, steered MD, and other methods most consistently used to study drug-target binding.
1K
Insight Into the Kinetic of Amyloid β (1–42) Peptide Self-Aggregation: Elucidation of Inhibitors’ Mechanism of Action
Manuela Bartolini,Carlo Bertucci,Maria Laura Bolognesi,Andrea Cavalli,Carlo Melchiorre,Vincenza Andrisano +5 more
TL;DR: In this paper, a CD kinetic study showed a three-step sigmoid profile that was characterized by a lag phase (prevailing unordered/alpha-helix conformation), an exponential growth phase (increasing beta-sheet secondary structure), and a plateau phase.
355
QT prolongation through hERG K(+) channel blockade: current knowledge and strategies for the early prediction during drug development.
TL;DR: The mechanisms leading to QT prolongation are outlined and the different strategies that can be followed to predict this unwanted effect are outlined, and the approaches recently proposed for the in silico screening of new compounds are focused on.
295
Multi-target-directed drug design strategy: from a dual binding site acetylcholinesterase inhibitor to a trifunctional compound against Alzheimer's disease.
Maria Laura Bolognesi,Andrea Cavalli,Luca Valgimigli,Manuela Bartolini,Michela Rosini,Vincenza Andrisano,Maurizio Recanatini,Carlo Melchiorre +7 more
TL;DR: A design strategy to convert a dual-binding site AChE inhibitor into triple functional compounds with promising in vitro profile against multifactorial syndromes, such as Alzheimer's disease, is proposed.
255