Preprint Communication Version 1 Preserved in Portico This version is not peer-reviewed

Exploring Natural Compounds for Cardiovascular Research: Myeloperoxidase Inhibition and Toxicity Prediction Studies

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. 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. Preprints 2024, 2024020107. 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.

Keywords

cardiovascular research; myeloperoxidase; Astringin; pkCSM; Molecular Docking

Subject

Public Health and Healthcare, Other

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