List of works - Giovanni Bottegoni

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

scientific article published on 14 July 2015

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

scientific article published on 15 January 2019

A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs

scientific article published in March 2006

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

scientific article

AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets.

scientific article published in July 2006

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

scientific article published on 03 August 2018

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

scientific article

Application of Conformational Clustering in Protein–Ligand Docking

scientific article published on 01 January 2012

Applying a multitarget rational drug design strategy: the first set of modulators with potent and balanced activity toward dopamine D3 receptor and fatty acid amide hydrolase

scientific article

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

scholarly article by A. Micoli et al published 2016 in MedChemComm

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

scientific article published on 27 July 2017

Benzimidazole derivatives as kinase inhibitors.

scientific article published on January 2014

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

scientific article published on 22 February 2011

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

scientific article published on 17 January 2018

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

scientific article published on May 10, 2012

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

scientific article published on 17 October 2012

Computational approaches to the study of dual-site and peripheral site binding ache inhibitors

scientific article published on 01 December 2005

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

scientific article published on January 2012

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

scientific article published on September 2011

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

scientific article published on June 2014

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 Hy

scientific article

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

scientific article

Diaryl Urea: A Privileged Structure in Anticancer Agents.

scientific article published on 11 April 2016

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

scientific article published in 2021

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

scientific article published on 24 April 2013

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

scientific article published on 14 July 2014

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

scientific article

In silico antitarget screening

scientific article

Irreversible Protein Kinase Inhibitors ⬇️

scientific article published on January 1, 2011

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

scientific article

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

scientific article

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

scientific article published on 8 July 2016

Multi-kinase inhibitors

scientific article

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

scientific article published on 20 June 2017

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

scientific article published on 11 December 2014

Non-ATP competitive protein kinase inhibitors.

scientific article published on January 2010

Polo-like kinases inhibitors.

scientific article published on January 2012

Protein-ligand docking.

scientific article published on June 2011

Role of Molecular Dynamics and Related Methods in Drug Discovery.

scientific article

SERAPhiC: a benchmark for in silico fragment-based drug design.

scientific article published on 12 October 2011

Small molecule aurora kinases inhibitors.

scientific article published on January 2009

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

scientific article published in January 2018

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

scientific article published on 23 November 2011

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

scientific article published on 24 November 2014

Systematic exploitation of multiple receptor conformations for virtual ligand screening

scientific article

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

scientific article

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

scientific article published on 16 August 2011

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

scientific article published on 22 December 2015

List of works by Giovanni Bottegoni

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

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

A comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs

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

AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets.

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

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

Application of Conformational Clustering in Protein–Ligand Docking

Applying a multitarget rational drug design strategy: the first set of modulators with potent and balanced activity toward dopamine D3 receptor and fatty acid amide hydrolase

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

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

Benzimidazole derivatives as kinase inhibitors.

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

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

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

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

Computational approaches to the study of dual-site and peripheral site binding ache inhibitors

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

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

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

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 Hy

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

Diaryl Urea: A Privileged Structure in Anticancer Agents.

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

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

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

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

In silico antitarget screening

Irreversible Protein Kinase Inhibitors ⬇️

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

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

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

Multi-kinase inhibitors

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

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

Non-ATP competitive protein kinase inhibitors.

Polo-like kinases inhibitors.

Protein-ligand docking.

Role of Molecular Dynamics and Related Methods in Drug Discovery.

SERAPhiC: a benchmark for in silico fragment-based drug design.

Small molecule aurora kinases inhibitors.

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

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

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

Systematic exploitation of multiple receptor conformations for virtual ligand screening

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

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

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