G. Bottegoni

发表

Application of conformational clustering in protein-ligand docking.

Walter Rocchia, Giovanni Bottegoni, Andrea Cavalli, 2012, Methods in molecular biology.

In silico antitarget screening.

Maurizio Recanatini, Giovanni Bottegoni, Andrea Cavalli, 2004, Drug discovery today. Technologies.

Systematic Exploitation of Multiple Receptor Conformations for Virtual Ligand Screening

R. Abagyan, A. Cavalli, G. Bottegoni, 2011, PloS one.

Role of Molecular Dynamics and Related Methods in Drug Discovery.

A. Cavalli, G. Bottegoni, Matteo Masetti, 2016, Journal of medicinal chemistry.

Multi-kinase inhibitors.

G. Bottegoni, M. Roberti, L. Garuti, 2015, Current medicinal chemistry.

The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning

A. Cavalli, G. Bottegoni, W. Rocchia, 2015, Nature Communications.

Four-dimensional docking: a fast and accurate account of discrete receptor flexibility in ligand docking.

Ruben Abagyan, Maxim Totrov, Irina Kufareva, 2009, Journal of medicinal chemistry.

Role of phosphorylated Thr160 for the activation of the CDK2/Cyclin A complex

Maurizio Recanatini, Paolo Carloni, Giovanni Bottegoni, 2005, Proteins.

Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular Dynamics

A. Cavalli, G. Bottegoni, M. Recanatini, 2016, PloS one.

Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors.

A. Cavalli, V. Andrisano, G. Bottegoni, 2016, Journal of medicinal chemistry.

Dual inhibition of REV-ERBβ and autophagy as a novel pharmacological approach to induce cytotoxicity in cancer cells

G. Bottegoni, A. Reggiani, M. Mattioli, 2014, Oncogene.

Discovery of a new class of highly potent inhibitors of acid ceramidase: synthesis and structure-activity relationship (SAR).

G. Bottegoni, M. Mor, D. Piomelli, 2013, Journal of medicinal chemistry.

Multi-target dopamine D3 receptor modulators: Actionable knowledge for drug design from molecular dynamics and machine learning.

A. Cavalli, G. Bottegoni, M. Recanatini, 2019, European journal of medicinal chemistry.

Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity

A. Cavalli, G. Bottegoni, A. Palamara, 2012, Cell Death and Disease.

Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity

A. Cavalli, G. Bottegoni, A. Palamara, 2012, Cell Death and Disease.

Multitarget drug design strategy in Alzheimer's disease: focus on cholinergic transmission and amyloid-β aggregation.

A. Cavalli, V. Andrisano, G. Bottegoni, 2017, Future medicinal chemistry.

Aryl and heteroaryl N-[4-[4-(2,3-substituted-phenyl)piperazine-1-yl]alkyl]carbamates with improved physico-chemical properties as dual modulators of dopamine D3 receptor and fatty acid amide hydrolase

A. Cavalli, G. F. Ruda, G. Bottegoni, 2016 .

BACE-1 Inhibitors: From Recent Single-Target Molecules to Multitarget Compounds for Alzheimer's Disease.

Maria Laura Bolognesi, Giovanni Bottegoni, Andrea Cavalli, 2017, Journal of medicinal chemistry.

Benzophenone-based derivatives: a novel series of potent and selective dual inhibitors of acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation.

A. Cavalli, V. Andrisano, G. Bottegoni, 2011, European journal of medicinal chemistry.

Combining galantamine and memantine in multitargeted, new chemical entities potentially useful in Alzheimer's disease.

Luca Goldoni, Giovanni Bottegoni, Andrea Cavalli, 2012, Journal of medicinal chemistry.

Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.

G. Klebe, A. Cavalli, G. Bottegoni, 2016, Journal of medicinal chemistry.

A Triazolotriazine‐Based Dual GSK‐3β/CK‐1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition

A. Cavalli, Maicol Bissaro, S. Moro, 2019, ChemMedChem.

3,4-Dihydro-1,3,5-triazin-2(1H)-ones as the First Dual BACE-1/GSK-3β Fragment Hits against Alzheimer's Disease.

L. Polito, A. Cavalli, V. Andrisano, 2015, ACS chemical neuroscience.

Multitarget drug discovery for Alzheimer's disease: triazinones as BACE-1 and GSK-3β inhibitors.

Andrea Armirotti, Paola Bisignano, Maria Laura Bolognesi, 2015, Angewandte Chemie.

A catalytically silent FAAH-1 variant drives anandamide transport in neurons

A. Cavalli, G. Bottegoni, W. Rocchia, 2011, Nature Neuroscience.

Cyclin-dependent kinases: bridging their structure and function through computations.

A. Cavalli, G. Bottegoni, M. Recanatini, 2011, Future medicinal chemistry.

Non-ATP competitive protein kinase inhibitors.

G. Bottegoni, M. Roberti, L. Garuti, 2010, Current medicinal chemistry.

Small molecule aurora kinases inhibitors.

G. Bottegoni, M. Roberti, L. Garuti, 2009, Current medicinal chemistry.

Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727

G. Bottegoni, F. Marshall, R. Cooke, 2018, Nature.

Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity

A. Cavalli, G. Bottegoni, A. Palamara, 2012, Cell Death and Disease.

Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity

A. Cavalli, G. Bottegoni, A. Palamara, 2012, Cell Death and Disease.

Design, Synthesis, Structure-Activity Relationship Studies, and Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Modeling of a Series of O-Biphenyl Carbamates as Dual Modulators of Dopamine D3 Receptor and Fatty Acid Amide Hydrolase.

Andrea Armirotti, Giovanni Bottegoni, Andrea Cavalli, 2017, Journal of medicinal chemistry.

The role of fragment-based and computational methods in polypharmacology.

Maurizio Recanatini, Angelo D. Favia, Giovanni Bottegoni, 2012, Drug discovery today.

Synthesis, biological evaluation, and 3D QSAR study of 2-methyl-4-oxo-3-oxetanylcarbamic acid esters as N-acylethanolamine acid amidase (NAAA) inhibitors.

A. Cavalli, G. Bottegoni, D. Piomelli, 2014, Journal of medicinal chemistry.

Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.

A. Cavalli, G. Bottegoni, G. Ferry, 2016, Journal of medicinal chemistry.

A computational study of the binding of propidium to the peripheral anionic site of human acetylcholinesterase.

Maurizio Recanatini, Giovanni Bottegoni, Andrea Cavalli, 2004, Journal of medicinal chemistry.

Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery

Andrea Spitaleri, Walter Rocchia, Giovanni Bottegoni, 2018, J. Chem. Inf. Model..

BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery

Andrea Spitaleri, Walter Rocchia, Giovanni Bottegoni, 2018, J. Chem. Inf. Model..

Erratum: Low molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activity (Cell Death and Disease (2012) 3 (e339) Doi: 10.1038/cddis.2012.80)

A. Cavalli, G. Bottegoni, A. Palamara, 2012 .

Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-Covalent N-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration

G. Bottegoni, R. Bertorelli, A. Reggiani, 2021, Journal of medicinal chemistry.

Synthesis of monomeric derivatives to probe memoquin's bivalent interactions.

A. Cavalli, V. Andrisano, G. Bottegoni, 2011, Journal of medicinal chemistry.

Anandamide transport inhibition by ARN272 attenuates nausea‐induced behaviour in rats, and vomiting in shrews (Suncus murinus)

G. Bottegoni, D. Piomelli, C. Limebeer, 2013, British journal of pharmacology.

Consistent Improvement of Cross-Docking Results Using Binding Site Ensembles Generated with Elastic Network Normal Modes

Ruben Abagyan, Manuel Rueda, Giovanni Bottegoni, 2009, J. Chem. Inf. Model..

Fluorinated benzophenone derivatives: balanced multipotent agents for Alzheimer's disease.

A. Cavalli, V. Andrisano, G. Bottegoni, 2014, European journal of medicinal chemistry.

Polo-like kinases inhibitors.

G. Bottegoni, M. Roberti, L. Garuti, 2012, Current medicinal chemistry.

Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments

Paola Bisignano, Angelo D. Favia, Giovanni Bottegoni, 2016, ChemMedChem.

Dopamine D3 receptor ligands: a patent review (2014–2020)

A. Cavalli, G. Bottegoni, R. D. Di Martino, 2022, Expert opinion on therapeutic patents.

Recipes for the Selection of Experimental Protein Conformations for Virtual Screening

Ruben Abagyan, Manuel Rueda, Giovanni Bottegoni, 2010, J. Chem. Inf. Model..

Structure-Based Predictions of Activity Cliffs

Ruben Abagyan, Andrea Cavalli, Irina Kufareva, 2015, J. Chem. Inf. Model..

SERAPhiC: A Benchmark for in Silico Fragment-Based Drug Design

Irene Nobeli, Andrea Cavalli, Paola Bisignano, 2011, J. Chem. Inf. Model..

Protein-ligand docking.

Giovanni Bottegoni, G. Bottegoni, 2011, Frontiers in bioscience.

Multitarget Compounds for Bipolar Disorder: From Rational Design to Preliminary Pharmacokinetic Evaluation

A. Cavalli, G. Bottegoni, F. Belluti, 2020, ChemMedChem.

Modeling lipid raft domains containing a mono-unsaturated phosphatidylethanolamine species

A. Cavalli, G. Bottegoni, M. Recanatini, 2015 .

Diaryl Urea: A Privileged Structure in Anticancer Agents.

G. Bottegoni, M. Roberti, L. Garuti, 2016, Current medicinal chemistry.

Irreversible protein kinase inhibitors.

G. Bottegoni, M. Roberti, L. Garuti, 2011, Current medicinal chemistry.

Computational Methods in Multitarget Drug Discovery

Giovanni Bottegoni, Andrea Cavalli, A. Cavalli, 2017 .

Describing the Conformational Landscape of Small Organic Molecules through Gaussian Mixtures in Dihedral Space.

Vittorio Murino, Diego Sona, Paolo Piro, 2014, Journal of chemical theory and computation.

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)

Ruben Abagyan, Maxim Totrov, Irina Kufareva, 2008, J. Comput. Aided Mol. Des..

Computational methods in the discovery and design of BACE-1 inhibitors.

A. Cavalli, G. Bottegoni, P. Kacker, 2012, Current medicinal chemistry.

Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design

Andrea Cavalli, Giovanni Bottegoni, Matteo Masetti, 2012, J. Chem. Inf. Model..

Galantamine-memantine hybrids for Alzheimer's disease: The influence of linker rigidity in biological activity and pharmacokinetic properties.

G. Bottegoni, M. Bartolini, A. Minarini, 2023, European journal of medicinal chemistry.

Describing the Conformational Landscape of Small Organic Molecules through Gaussian Mixtures in Dihedral Space.

Vittorio Murino, A. Cavalli, G. Bottegoni, 2014, Journal of chemical theory and computation.

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE)

R. Abagyan, G. Bottegoni, M. Totrov, 2008, J. Comput. Aided Mol. Des..

A Comparative Study on the Application of Hierarchical-Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs

Andrea Cavalli, Maurizio Recanatini, Giovanni Bottegoni, 2006, J. Chem. Inf. Model..

Cyclin-dependent kinases: bridging their structure and function through computations.

A. Cavalli, G. Bottegoni, M. Recanatini, 2011, Future medicinal chemistry.