Abstract

CHEMICAL-QUANTUM ANALYSIS OF THEOBROMINE (COCOA) AS AN ANTIOXIDANT OF INTESTINAL MICROBIOTA PROTEINS

Alejandra Alvarado-Salinas, Sara Téllez-Castañeda, Nadxhielly Donaji Rodríguez- Rosas, Patricia Tacuba-, María Cristina Rossete-Álvarez and *Manuel González-Pérez

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Abstract

Theobromine (TBM) is a chemical compound that belongs to the methylxanthine family, just like caffeine and theophylline. It is found in cocoa, tea, and some nuts and is used medicinally to treat bronchitis and asthma. This research aimed to analyze with quantum chemistry TBM (cocoa) as an antioxidant of intestinal microbiota proteins. Quantum chemistry was used. hyperchem software. SE-PM3 method, Polak Reviere, and the Electron Transfer Coefficient (ETC) theory for the characterization and interaction of molecules by molecule. We found that TBM is a long-acting substance within the biological system, and more than 70% of TBM interactions act with an antioxidant (reducing) character within the human organism. We conclude that the TBM that is part of the cocoa fruit is an excellent antioxidant of amino acids (AAs) in the human body. It is recommended to be roasted, directly milled cocoa beans for human consumption (dark chocolate, without additives). Since the main components of the microbiota are the AAs of proteins, its consumption is recommended as an antioxidant agent.

Keywords: Theobromine, Cocoa, Microbiota, Antioxidant, Quantum Chemistry.