Inside Cover: Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments (ChemMedChem 12/2016). (21st June 2016)

• Record Type: Journal Article
• Authors: Bottegoni, Giovanni; Veronesi, Marina; Bisignano, Paola; Kacker, Puneet; Favia, Angelo D.; Cavalli, Andrea
• Is Part Of: ChemMedChem. Volume 11:Number 12(2016)
• Page Start: 1189
• Page End: 1189
• Publication Date: 2016-06-21
• Subjects: BACE-1 -- GSK-3β -- multitarget-directed ligands -- polypharmacology -- virtual screening; Pharmaceutical chemistry -- Periodicals; 615.19005
• DOI: 10.1002/cmdc.201600286
• Languages: English
• ISSNs: 1860-7179

Abstract

Abstract : 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. onpage 1259 in Issue 12, 2016 (DOI:10.1002/cmdc.201500521 ).