Abstract

ETHANOL-INDUCED ENZYMATIC QUANTUM INSTABILITY: A NEW PARADIGM IN THE PATHOPHYSIOLOGY OF CHRONIC PANCREATITIS

Karla Elisa Valencia Rojas*, Nancy Beatriz Sánchez Barrientos, Elí Hernández Jiménez, Jesica Vianney Hernández Morales, Lizzet Karina Espinosa Ojeda, Jorge Machorro Nuñez, Diego Matheis Celis and Manuel Gonzalez Perez

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Abstract

Chronic pancreatitis is a progressive fibroinflammatory disease marked by irreversible damage to the pancreas, leading to exocrine and endocrine insufficiency. In Mexico, chronic alcohol consumption is the predominant etiological factor, accounting for up to 70% of cases. Despite this strong epidemiological link, the molecular mechanisms underlying ethanol-induced pancreatic injury remain poorly understood. This study proposes a quantum-level computational approach to elucidate the interactions between ethanol, its metabolites, and key pancreatic enzymes—trypsin, amylase, and lipase. Using molecular dynamics and density functional theory (DFT), we modeled the structural and electrostatic perturbations induced by ethanol exposure. Classical biochemical frameworks, including Michaelis-Menten kinetics and molecular toxicology, were integrated with quantum mechanical principles to assess enzymatic vulnerability. Electrostatic potential maps and three-dimensional molecular graphs were generated, and the electron transfer coefficient (ETC) was calculated by dividing the band gap energy by the electrostatic potential. Results revealed significant alterations in the catalytic regions of trypsin and lipase, suggesting increased susceptibility to autodigestion and oxidative stress. These findings support a mechanistic link between ethanol metabolism and enzyme destabilization at the subatomic level. The proposed model offers a novel framework for identifying therapeutic targets and designing population-specific interventions for chronic pancreatitis. Quantum analysis thus emerges as a promising tool for bridging molecular pathology and clinical strategy in alcohol-related pancreatic disease.

Keywords: Chronic pancreatitis, Irreversible fibroinflammatory disease, Exocrine and endocrine dysfunction.