about
Systematic exploitation of multiple receptor conformations for virtual ligand screeningMapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular DynamicsLow molecular weight, non-peptidic agonists of TrkA receptor with NGF-mimetic activityThe ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning.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.In silico antitarget screening.Fluorinated benzophenone derivatives: balanced multipotent agents for Alzheimer's disease.Versatility of the Curcumin Scaffold: Discovery of Potent and Balanced Dual BACE-1 and GSK-3β Inhibitors.Dual inhibition of REV-ERBβ and autophagy as a novel pharmacological approach to induce cytotoxicity in cancer cellsSmall molecule aurora kinases inhibitors.Anandamide transport inhibition by ARN272 attenuates nausea-induced behaviour in rats, and vomiting in shrews (Suncus murinus)Non-ATP competitive protein kinase inhibitors.Protein-ligand docking.The role of fragment-based and computational methods in polypharmacology.Cyclin-dependent kinases: bridging their structure and function through computations.Polo-like kinases inhibitors.Computational methods in the discovery and design of BACE-1 inhibitors.Multi-kinase inhibitors.Multitarget drug design strategy in Alzheimer's disease: focus on cholinergic transmission and amyloid-β aggregation.Role of Molecular Dynamics and Related Methods in Drug Discovery.Diaryl Urea: A Privileged Structure in Anticancer Agents.Benzimidazole derivatives as kinase inhibitors.Describing the Conformational Landscape of Small Organic Molecules through Gaussian Mixtures in Dihedral Space.Synthesis of monomeric derivatives to probe memoquin's bivalent interactions.Discovery of a new class of highly potent inhibitors of acid ceramidase: synthesis and structure-activity relationship (SAR).A computational study of the binding of propidium to the peripheral anionic site of human acetylcholinesterase.Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments.SERAPhiC: a benchmark for in silico fragment-based drug design.Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.BACE-1 Inhibitors: From Recent Single-Target Molecules to Multitarget Compounds for Alzheimer's Disease.BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.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 HyCombining galantamine and memantine in multitargeted, new chemical entities potentially useful in Alzheimer's disease.Multitarget drug discovery for Alzheimer's disease: triazinones as BACE-1 and GSK-3β inhibitors.AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets.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 comparative study on the application of hierarchical-agglomerative clustering approaches to organize outputs of reiterated docking runs.Molecular Dynamics Simulations and Kinetic Measurements to Estimate and Predict Protein-Ligand Residence Times.Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug DiscoveryBenzophenone-based derivatives: a novel series of potent and selective dual inhibitors of acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation
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description
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Giovanni Bottegoni
@ast
Giovanni Bottegoni
@en
Giovanni Bottegoni
@es
Giovanni Bottegoni
@nl
type
label
Giovanni Bottegoni
@ast
Giovanni Bottegoni
@en
Giovanni Bottegoni
@es
Giovanni Bottegoni
@nl
prefLabel
Giovanni Bottegoni
@ast
Giovanni Bottegoni
@en
Giovanni Bottegoni
@es
Giovanni Bottegoni
@nl
P108
P106
P108
P1153
9747194200
P21
P2456
P31
P496
0000-0003-1251-583X