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Computer-aided identification of novel anticancer compounds with a possible dual HER1/HER2 inhibition mechanism

Elseginy, Samia A., Lazaro, Glorianne, Nawwar, Galal A. M., Amin, Kamilia M., Hiscox, Stephen Edward and Brancale, Andrea 2015. Computer-aided identification of novel anticancer compounds with a possible dual HER1/HER2 inhibition mechanism. Biorganic and Medicinal Chemistry Letters 25 (4) , pp. 758-762. 10.1016/j.bmcl.2014.12.095

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Abstract

HER1 and HER2 are frequently overexpressed in human tumors where they drive cellular proliferation. For this reason they are considered important targets in anticancer therapy with dual HER1/HER2 inhibitors being recently approved and marketed. In this paper we report the identification of a series of compounds with anticancer activity by a combined virtual screening approach on the kinase domains of HER1 and HER2. 6 hit compounds that present a sub- or low-micromolar activity in two cell-based assays, were initially identified and a subsequent design cycle led to the synthesis of a compound with nanomolar activity in the cell-based assays.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Biosciences
Pharmacy
Additional Information: Available online 6 January 2015
Publisher: Elsevier
ISSN: 0960-894X
Date of First Compliant Deposit: 30 March 2016
Date of Acceptance: 31 December 2014
Last Modified: 03 Jul 2019 09:28
URI: http://orca.cf.ac.uk/id/eprint/74486

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