Preprint Communication Version 1 Preserved in Portico This version is not peer-reviewed

Exploring FABP3 as a Potential Biomarker for Cardiac and Cerebral Injury Post-Stroke: Insights from Molecular Docking Studies with Natural Compounds

Version 1 : Received: 17 December 2023 / Approved: 18 December 2023 / Online: 19 December 2023 (09:45:41 CET)

How to cite: FERRARI, I. V. Exploring FABP3 as a Potential Biomarker for Cardiac and Cerebral Injury Post-Stroke: Insights from Molecular Docking Studies with Natural Compounds. Preprints 2023, 2023121376. https://doi.org/10.20944/preprints202312.1376.v1 FERRARI, I. V. Exploring FABP3 as a Potential Biomarker for Cardiac and Cerebral Injury Post-Stroke: Insights from Molecular Docking Studies with Natural Compounds. Preprints 2023, 2023121376. https://doi.org/10.20944/preprints202312.1376.v1

Abstract

Investigations are currently in progress to assess the potential of elevated FABP3 levels as biomarkers for assessing cardiac and cerebral injury post-stroke. Ongoing research endeavors are concentrated on elucidating the specific mechanisms by which FABPs, particularly FABP3, contribute to the complex processes involved in ischemic stroke. This study employs molecular docking techniques within a Virtual Screening framework to examine the interaction between various natural substances and the active site of human heart fatty acid-binding protein (PDB Code 4TKH). Utilizing Pyrx and Autodock Vina, the research aims to pinpoint compounds demonstrating robust binding interactions, characterized by high binding energy scores (kcal/mol) and the formation of multiple chemical bonds. The anticipated outcomes have the potential to yield valuable insights into the molecular interactions influencing human heart fatty acid-binding protein, suggesting possible implications for therapeutic interventions using these natural substances.From the docking and predicted toxicity results, Resistomycin has demonstrated superior characteristics compared to Morusin.

Keywords

heart fatty acid-binding protein; Morusin; molecular docking; FABP3; Resistomycin; pkCSM

Subject

Medicine and Pharmacology, Cardiac and Cardiovascular Systems

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