Finding for New Drugs in Nature for Neglected Tropical Diseases: In Silico Study of Homolycorine Alkaloids against Chagas Disease

31 October 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Chagas disease or American trypanosomiasis is a neglected tropical disease (NTD). It is mainly caused by infection with the Trypanosoma cruzi parasite. In this study, part of an Ibero-American project of a CYTED network devoted to the use of Amaryllidaceae alkaloids as templates for the synthesis of new pharmaceuticals, we have performed a virtual screening of homolycorine-type alkaloids where two alkaloids, 10-Norneronine and 2,10b-dihydroxy-9-O-demethylhomolycorine, can be the basis for the design of new drugs due to their interaction with both Trypanothione reductase (TR), and Cruzain (CZ) showing scores close to -7 kcal/mol in molecular docking studies.

Keywords

Amaryllidaceae alkaloids
Chagas Disease
Molecular Docking
Chemoinformatics

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