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Binding Site of Loperamide: Automated Docking of Loperamide in Human μ‐ and δ‐Opioid Receptors
Author(s) -
Di Bosco Antonio Mazzella,
Grieco Paolo,
Diurno Maria Vittoria,
Campiglia Pietro,
Novellino Ettore,
Mazzoni Orazio
Publication year - 2008
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/j.1747-0285.2008.00637.x
Subject(s) - loperamide , docking (animal) , chemistry , receptor , autodock , opioid , pharmacology , agonist , stereochemistry , biochemistry , biology , medicine , in silico , gene , nursing , diarrhea
Loperamide is a piperidine analogue, acting as agonist on peripheral opioid receptors, exhibiting affinity and selectivity for the cloned μ human opioid receptor compared with the δ human opioid receptor. Automatic docking studies of loperamide, using AutoDock, on human μ‐ and δ‐opioid receptors is described. Whilst no meaningful difference was detected concerning the docking of the arylpiperidine moiety, μ/δ selectivity could be explained as a different accommodation of the two phenyl groups in two lipophylic pockets of receptors.