Version 1
: Received: 1 February 2024 / Approved: 2 February 2024 / Online: 2 February 2024 (04:54:03 CET)
How to cite:
Ferrari, I. V. Exploring Natural Compounds for Cardiovascular Research: Myeloperoxidase Inhibition and Toxicity Prediction Studies. Preprints2024, 2024020107. https://doi.org/10.20944/preprints202402.0107.v1
Ferrari, I. V. Exploring Natural Compounds for Cardiovascular Research: Myeloperoxidase Inhibition and Toxicity Prediction Studies. Preprints 2024, 2024020107. https://doi.org/10.20944/preprints202402.0107.v1
Ferrari, I. V. Exploring Natural Compounds for Cardiovascular Research: Myeloperoxidase Inhibition and Toxicity Prediction Studies. Preprints2024, 2024020107. https://doi.org/10.20944/preprints202402.0107.v1
APA Style
Ferrari, I. V. (2024). Exploring Natural Compounds for Cardiovascular Research: Myeloperoxidase Inhibition and Toxicity Prediction Studies. Preprints. https://doi.org/10.20944/preprints202402.0107.v1
Chicago/Turabian Style
Ferrari, I. V. 2024 "Exploring Natural Compounds for Cardiovascular Research: Myeloperoxidase Inhibition and Toxicity Prediction Studies" Preprints. https://doi.org/10.20944/preprints202402.0107.v1
Abstract
This study focused on the investigation of myeloperoxidase through a Molecular Docking approach with various natural compounds to identify potential substances for cardiovascular research.Recent research has linked elevated myeloperoxidase levels to the severity of coronary artery disease. The results of the docking analysis revealed Polydatin, Daidzin, Astringin, Ginkgetin, and Amentoflavone as promising compounds with excellent binding capacity.To complement this, toxicity prediction studies were conducted using pkCSM. Overall, all four investigated molecules (Amentoflavone, Daidzin, Ginkgetin, and Astringin) were found to be non-toxic, exhibiting high maximum tolerated doses (human) and favorable values for Oral Rat Acute Toxicity and Oral Rat Chronic Toxicity. Moreover, they showed non-AMES toxicity and non-hepatotoxicity. Astringin, in particular, stood out with the highest positive effects, including a high maximum tolerated dose (human) and favorable values for Oral Rat Chronic Toxicity, along with dual inhibition of hERG II and hERG I. These findings suggest the potential utility of these compounds in cardiovascular research with minimized unwanted effects.
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
