EventsMOL2NET'16, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 2nd ed.
Published
This submission belongs to the session 05. NICEXSM-02: North-Ibero-American Congress on Exp. and Simul. Methods, Valencia, Spain-Miami, USA, 2016 of the event MOL2NET'16, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 2nd ed.
Published date
21 Nov, 2016
Citation
Mateus Feitosa Alves, Marcus Tullius Scotti, Luciana Scotti, Sócrates Golzio dos Santos, Margareth de Fátima Formiga Melo Diniz, Alkaloids Menispermaceae family: a new source of compounds selective for beta-adrenergic receptors, in Proceedings of MOL2NET'16, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 2nd ed., 15 October–20 October 2022, MDPI: Basel, Switzerland, doi: 10.3390/mol2net-02-14004
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Alkaloids Menispermaceae family: a new source of compounds selective for beta-adrenergic receptors

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Sócrates Golzio dos Santos 2
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1. Postgraduate Program in Natural Products and Synthetic Bioactive, Federal University of Paraíba, João Pessoa – PB, Brazil.
2. Research Institute for Drugs and Medicines, Federal University of Paraíba, João Pessoa – PB, Brazil
Abstract

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.

Keywords
β1 adrenergic receptors
β2 adrenergic receptors
pharmacological receptors
alkaloids
Menispermaceae
virtual screening
multi-target.
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