How to Personalize General Anesthesia—A Prospective Theoretical Approach to Conformational Changes of Halogenated Anesthetics in Fire Smoke Poisoning
Flavius Nicușor Truicu, Roni Octavian Damian, Mihai Alexandru Butoi, Vlad Ionuț Belghiru, Luciana Teodora Rotaru, Monica Puticiu, Renata Maria Văruț
TL;DR
This paper explores how smoke poisoning affects anesthetic effectiveness and suggests certain anesthetics are better suited for patients exposed to fire smoke.
Contribution
The study introduces a theoretical model to predict optimal anesthetics for patients with fire smoke poisoning based on molecular interactions.
Findings
Hemoglobin forms more stable complexes with anesthetic gases than myoglobin.
Desflurane and sevoflurane show significant conformational and binding energy changes due to HCl intoxication.
Halothane and isoflurane are suggested as optimal anesthetics for patients exposed to fire smoke.
Abstract
Smoke intoxication is a central event in mass burn incidents, and toxic smoke acts at different levels of the body, blocking breathing and oxygenation. The majority of these patients require early induction of anesthesia to preserve vital functions. We studied the influence of hemoglobin (HMG) and myoglobin (MGB) blockade by hydrochloric acid (HCl) in an interaction model with gaseous anesthetics using molecular docking techniques. In the next part of the study, molecular dynamics (MD) simulations were performed on the top-scoring ligand–receptor complexes to investigate the stability of the ligand–receptor complexes and the interactions between ligands and receptors in more detail. Through docking analysis, we observed that hemoglobin creates more stable complexes with anesthetic gases than myoglobin. Intoxication with gaseous hydrochloric acid produces conformational and binding…
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Taxonomy
TopicsChemical Reaction Mechanisms · Free Radicals and Antioxidants · Energetic Materials and Combustion