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http://hdl.handle.net/2445/129848
Title: | Escape from adamantane: scaffold optimization of novel P2X7 antagonists featuring complex polycycles |
Author: | Barniol-Xicota, Marta Kwak, Seung-Hwa Lee, So-Deok Caseley, Emily Valverde Murillo, Elena Jiang, Lin-Hua Kim, Yong-Chul Vázquez Cruz, Santiago |
Keywords: | Receptors cel·lulars Medicaments Cell receptors Drugs |
Issue Date: | 16-Jan-2017 |
Publisher: | Elsevier Ltd |
Abstract: | The adamantane scaffold, despite being widely used in medicinal chemistry, is not devoid of problems. In recent years we have developed new polycyclic scaffolds as surrogates of the adamantane group with encouraging results in multiple targets. As an adamantane scaffold is a common structural feature in several P2X7 receptor antagonists, herein we report the synthesis and pharmacological evaluation of multiple replacement options of adamantane that maintain a good activity profile. Molecular modeling studies support the binding of the compounds to a site close to the central pore, rather than to the ATP-binding site and shed light on the structural requirements for novel P2X7 antagonists. |
Note: | Versió postprint del document publicat a: https://doi.org/10.1016/j.bmcl.2017.01.039 |
It is part of: | Bioorganic & Medicinal Chemistry Letters, 2017, vol. 27, p. 759-763 |
URI: | http://hdl.handle.net/2445/129848 |
Related resource: | https://doi.org/10.1016/j.bmcl.2017.01.039 |
ISSN: | 0960-894X |
Appears in Collections: | Articles publicats en revistes (Institut de Biomedicina (IBUB)) Articles publicats en revistes (Farmacologia, Toxicologia i Química Terapèutica) |
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