Elseginy, Samia A., Lazaro, Glorianne, Nawwar, Galal A. M., Amin, Kamilia M., Hiscox, Stephen E.  ORCID: https://orcid.org/0000-0003-0105-2702 and Brancale, Andrea ORCID: https://orcid.org/0000-0002-9728-3419
2015.
Computer-aided identification of novel anticancer compounds with a possible dual HER1/HER2 inhibition mechanism.
Bioorganic 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: | Schools > Pharmacy Schools > Biosciences |
| Additional Information: | Available online 6 January 2015 Released with a Creative Commons Attribution Non-Commercial No Derivatives License (CC BY-NC-ND) |
| Publisher: | Elsevier |
| ISSN: | 0960-894X |
| Date of First Compliant Deposit: | 30 March 2016 |
| Date of Acceptance: | 31 December 2014 |
| Last Modified: | 12 Nov 2024 22:30 |
| URI: | https://orca.cardiff.ac.uk/id/eprint/74486 |
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