Inside Cover: Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments (ChemMedChem 12/2016)

The inside cover picture shows a symbolic representation of the effect associated with a multitarget compound. Physio‐pathological processes can be envisioned as complex networks with proteins for nodes. According to the core idea of polypharmacology, the ability of a multitarget compound to selecti...

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Bibliographic Details
Published in:ChemMedChem 2016-06, Vol.11 (12), p.1189-1189
Main Authors: Bottegoni, Giovanni, Veronesi, Marina, Bisignano, Paola, Kacker, Puneet, Favia, Angelo D., Cavalli, Andrea
Format: Article
Language:English
Subjects:
Alzheimer's disease
BACE-1
GSK-3β
multitarget-directed ligands
polypharmacology
virtual screening
Online Access:Get full text
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Summary:The inside cover picture shows a symbolic representation of the effect associated with a multitarget compound. Physio‐pathological processes can be envisioned as complex networks with proteins for nodes. According to the core idea of polypharmacology, the ability of a multitarget compound to selectively interact with only key nodes can deeply perturb the overall network structure thus delivering powerful and long‐lasting effects. In this light, within the framework of Alzheimer's disease, a small organic molecule with concurrent activity at BACE‐1 and GSK‐3 (blue nodes in the pictures) holds great therapeutic potential, as both targets are likely implicated in the onset of the disease but are otherwise unrelated. More information can be found in the Communication by Giovanni Bottegoni et al. on page 1259 in Issue 12, 2016 (DOI: 10.1002/cmdc.201500521).
ISSN:1860-7179
1860-7187
DOI:10.1002/cmdc.201600286