Alessandro Contini
Alessandro Contini
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Virtual screening approach for the identification of new Rac1 inhibitors
N Ferri, A Corsini, P Bottino, F Clerici, A Contini
Journal of medicinal chemistry 52 (14), 4087-4090, 2009
Virtual screening of an FDA approved drugs database on two COVID-19 coronavirus proteins
A Contini
Explicit ligand hydration shells improve the correlation between MM-PB/GBSA binding energies and experimental activities
I Maffucci, A Contini
Journal of Chemical Theory and Computation 9 (6), 2706-2717, 2013
SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington’s disease
S Leone, C Mutti, A Kazantsev, M Sturlese, S Moro, E Cattaneo, ...
Bioorganic & medicinal chemistry 16 (10), 5695-5703, 2008
Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N‐Oxide Lewis Base Catalysts
S Staniland, RW Adams, JJW McDouall, I Maffucci, A Contini, ...
Angewandte Chemie 128 (36), 10913-10917, 2016
Synthesis and “double-faced” antioxidant activity of polyhydroxylated 4-thiaflavans
S Menichetti, MC Aversa, F Cimino, A Contini, C Viglianisi, A Tomaino
Organic & Biomolecular Chemistry 3 (16), 3066-3072, 2005
Improved computation of protein–protein relative binding energies with the Nwat-MMGBSA method
I Maffucci, A Contini
Journal of chemical information and modeling 56 (9), 1692-1704, 2016
In silico drug repurposing for SARS-CoV-2 main proteinase and spike proteins
I Maffucci, A Contini
Journal of Proteome Research 19 (11), 4637-4648, 2020
Binding of the repressor complex REST‐mSIN 3b by small molecules restores neuronal gene transcription in Huntington's disease models
P Conforti, C Zuccato, G Gaudenzi, A Ieraci, S Camnasio, NJ Buckley, ...
Journal of Neurochemistry 127 (1), 22-35, 2013
An efficient implementation of the Nwat-MMGBSA method to rescore docking results in medium-throughput virtual screenings
I Maffucci, X Hu, V Fumagalli, A Contini
Frontiers in chemistry 6, 43, 2018
[2 + 4] and [4 + 2] Cycloadditions of o-Thioquinones with 1,3-Dienes:  A Computational Study
A Contini, S Leone, S Menichetti, C Viglianisi, P Trimarco
The Journal of Organic Chemistry 71 (15), 5507-5514, 2006
β-Hairpin mimics containing a piperidine–pyrrolidine scaffold modulate the β-amyloid aggregation process preserving the monomer species
S Pellegrino, N Tonali, E Erba, J Kaffy, M Taverna, A Contini, M Taylor, ...
Chemical science 8 (2), 1295-1302, 2017
2-Amino-3-(phenylsulfanyl) norbornane-2-carboxylate: an appealing scaffold for the Design of Rac1–Tiam1 protein–protein interaction inhibitors
A Ruffoni, N Ferri, SK Bernini, C Ricci, A Corsini, I Maffucci, F Clerici, ...
Journal of medicinal chemistry 57 (7), 2953-2962, 2014
Turning REST/NRSF dysfunction in Huntington's disease into a pharmaceutical target
D Rigamonti, C Mutti, C Zuccato, E Cattaneo, A Contini
Current pharmaceutical design 15 (34), 3958-3967, 2009
An updated test of amber force fields and implicit solvent models in predicting the secondary structure of helical, β-hairpin, and intrinsically disordered peptides
I Maffucci, A Contini
Journal of chemical theory and computation 12 (2), 714-727, 2016
A tendril perversion in a helical oligomer: trapping and characterizing a mobile screw-sense reversal
M Tomsett, I Maffucci, BAF Le Bailly, L Byrne, SM Bijvoets, MG Lizio, ...
Chemical science 8 (4), 3007-3018, 2017
Synthesis, molecular characterization and preliminary antioxidant activity evaluation of quercetin fatty esters
F Mainini, A Contini, D Nava, PA Corsetto, AM Rizzo, E Agradi, E Pini
Journal of the American Oil Chemists' Society 90 (11), 1751-1759, 2013
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids
J Jansen, KC Reimer, JS Nagai, FS Varghese, GJ Overheul, M de Beer, ...
Cell stem cell 29 (2), 217-231. e8, 2022
Role of small GTPase protein Rac1 in cardiovascular diseases: development of new selective pharmacological inhibitors
N Ferri, A Contini, SK Bernini, A Corsini
Journal of cardiovascular pharmacology 62 (5), 425-435, 2013
COVID moonshot: open science discovery of SARS-CoV-2 main protease inhibitors by combining crowdsourcing, high-throughput experiments, computational simulations, and machineá…
H Achdout, A Aimon, E Bar-David, H Barr, A Ben-Shmuel, J Bennett, ...
BioRxiv, 2020
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