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Design and synthesis of albuterol‐derivatives as selective β2‐adrenoceptor agonists with potential biased signaling (588.2)
Author(s) -
LopezCabrera Yessica,
TrujilloFerrara Jose,
CuevasHernandez Roberto,
CorreaBasurto Jose,
SorianoUrsua Marvin
Publication year - 2014
Publication title -
the faseb journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.709
H-Index - 277
eISSN - 1530-6860
pISSN - 0892-6638
DOI - 10.1096/fasebj.28.1_supplement.588.2
Subject(s) - in silico , allosteric regulation , chemistry , receptor , signal transduction , pharmacology , computational biology , stereochemistry , biochemistry , biology , gene
The development of new drugs based on the selectivity for recognition and coupling on receptors is increasing. Recent studies of β‐adrenoceptors and their associated ligands allow us to explore properties about interactions and receptor activation, which modulated the response produced in a organism. Those responses are related with the preference of the G‐protein‐dependent pathway or the β‐arrestin pathway. In present work, we designed albuterol derivatives and we studied them through a computational study analyzing interactions on β2 adrenoceptor using in silico tools. Furthermore, we carried out the synthesis of some of these compounds. From our in silico results, we suggest that chemical structure of albuterol derivatives influence in both orthosteric and allosteric binding sites on the receptor, in such manner which could be involved in their potencial biased signaling. Also, we suggest the potential of in silico details for suggesting biased signaling on β2 adrenoceptor. Finally, regarding the synthesis of these compounds, we identified the specific values for temperature and pH variables favoring yield and purity. Grant Funding Source : Supported by CONACyT (CB168116), COFAA, and SIP‐IPN, México.