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Molecular Human Targets of Bioactive Alkaloid-Type Compounds from Jacq. | LitMetric

Molecular Human Targets of Bioactive Alkaloid-Type Compounds from Jacq.

Molecules

Laboratory of Phytochemical and Pharmacological Research, Zaragocilla Campus, School of Pharmaceutical Sciences, University of Cartagena, Cartagena 130014, Bolívar, Colombia.

Published: June 2021

AI Article Synopsis

Article Abstract

Alkaloids are a group of secondary metabolites that have been widely studied for the discovery of new drugs due to their properties on the central nervous system and their anti-inflammatory, antioxidant and anti-cancer activities. Molecular docking was performed for 10 indole alkaloids identified in the ethanol extract of Jacq. with 951 human targets involved in different diseases. The results were analyzed through the KEGG and STRING databases, finding the most relevant physiological associations for alkaloids. The molecule 5-oxocoronaridine proved to be the most active molecule against human proteins (binding energy affinity average = -9.2 kcal/mol) and the analysis of the interactions between the affected proteins pointed to the PI3K/ Akt/mTOR signaling pathway as the main target. The above indicates that indole alkaloids from constitute a promising source for the search and development of new treatments against different types of cancer.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8234993PMC
http://dx.doi.org/10.3390/molecules26123765DOI Listing

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