Pharmacological receptors are important because they produce an interaction with drugs leading to a pharmacological response. The β1 and β2 adrenergic receptors are found in cardiac muscle and bronchial tissue, as well as cardiomyocytes. The family Menispermaceae comprises over 70 genera with a wide global distribution, many having different pharmacological activities. Several secondary metabolites, particularly alkaloids, have been isolated from this family. The aim of this study was to evaluate a number of alkaloids and their affinity to β1 and β2 adrenergic receptors. Therefore, applied-based virtual screening of ligands associated with screening based on the virtual structure of a small data set of 786 secondary metabolites of the Menispermaceae family from an in-house database was undertaken. The multitarget selectivity of the alkaloid dauricine (482) was observed for inhibiting β1 adrenergic receptors and activating β2 adrenergic receptors. These compounds can be used as starting points for studies of proposed structures for cardioprotective and/or antiasthmatic activity.
Previous Article in event
Next Article in event
Alkaloids Menispermaceae family: a new source of compounds selective for beta-adrenergic receptors
Published: 21 November 2016 by MDPI in MOL2NET'16, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 2nd ed. congress NICEXSM-02: North-Ibero-American Congress on Exp. and Simul. Methods, Valencia, Spain-Miami, USA, 2016
Keywords: β1 adrenergic receptors, β2 adrenergic receptors, pharmacological receptors, alkaloids, Menispermaceae, virtual screening, multi-target.