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International Journal of Innovation and Applied Studies
ISSN: 2028-9324     CODEN: IJIABO     OCLC Number: 828807274     ZDB-ID: 2703985-7
 
 
Wednesday 26 February 2020

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In Press: Theoretical study of weak interactions between condensed tannins and salivary proteins : Case of catechin and epicatechin with proline



                 

Amon Benjamine ASSOMA1, Akpa Eugène ESSOH2, Kicho Denis YAPO3, and Boka Robert N'GUESSAN4

1 Laboratory of Organic Chemistry and Natural Substances, UFR-SSMT, Félix Houphouët-Boigny University
2 Laboratory of Organic Chemistry and Natural Substances, UFR-SSMT, Félix Houphouët-Boigny University
3 Laboratory of Organic Chemistry and Natural Substances, UFR-SSMT, Félix Houphouët-Boigny University
4 Laboratory of Organic Chemistry and Natural Substances, UFR-SSMT, Félix Houphouët-Boigny University

Original language: English

Received 30 October 2019

Copyright © 2020 ISSR Journals. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract


The weak hydrogen bond interactions of two stereorisomeric flavanols (catechin and epicatechin) and proline, one of the most abundant amino acids in salivary proteins, have been theoretically investigated by the DFT methods with bases 6-31 G (d,p) and 6-31 + G (d,p). Geometric, energy and spectroscopic parameters were calculated. These confirm the formation of complexes by moderate hydrogen bonds between the hydroxyl groups of catechin or epicatechin with the heteroatoms Nsp3, Osp2 and Osp3 of proline. Also, this study establishes that the complexes formed with the proline heteroatoms Nsp3 and Osp2 are the most stable.

Author Keywords: catechin, epicatechin, proline, flavanol, amino acid.