Examination of molecular space and feasible structures of bioactive components of humic substances by FTICR MS data mining in ChEMBL database.

ABSTRACT: Humic substances (HS) are complex natural mixtures comprising a large variety of compounds produced during decomposition of decaying biomass. The molecular composition of HS is extremely diverse as it was demonstrated with the use of high resolution mass spectrometry. The building blocks of HS are mostly represented by plant-derived biomolecules (lignins, lipids, tannins, carbohydrates, etc.). As a result, HS show a wide spectrum of biological activity. Despite that, HS remain a 'biological activity black-box' due to unknown structures of constituents responsible for the interaction with molecular targets. In this study, we investigated the antiviral activity of eight HS fractions isolated from peat and coal, as well as of two synthetic humic-like materials. We determined molecular composi

SUBMITTER: Orlov AA 

PROVIDER: S-EPMC6700089 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature