Fruttamed Clinical studies

Clinical Study-2

Xeronine structure and function: computational comparative analysis and it’s effects

In Silico Pharmacol. 2017 Sep 2;5:8. doi: 10.1007/s40203-017-0028-y. eCollection 2017
Sanni DM1Fatoki TH1Kolawole AO1Akinmoladun AC2

Abstract

Morinda citrifolia (Noni) fruit has an age old history of dietary use in tropical regions of the world. Pharmacological properties that have been attributed to the fruit include anti-inflammatory, anti-cancer, and antioxidant properties. Xeronine, a small alkaloid which has been patented (US4543212) is one of the bio-active compounds of Morinda citrifolia , which is proving to be capable of modifying the molecular structure of specific in-active proteins thereby regulating proper folding to active enzymes. In this study, standard chemo-informatics tools and servers such as ChemSketch, ChemMine, Swisstargetprediction, SwissADME and Swisssimilarity have been deployed to construct its possible structure. In addition, synthetic xeronine structures based on the known bioactive components of Noni fruit were designed. Final designed xeronine structure possess all the features that were described in the patent document, and has >48% possible protein targets related to neurodegenerative diseases such as Alzheimer’s disease (AD), which possibly justifies the key function stated in the patent.

KEYWORDS:

Cheminformatics; De novo drug design; Morinda citrifolia; Noni fruit; Xeronine

PMID:28955650
PMCID:PMC5581797
DOI:10.1007/s40203-017-0028-y