Discovery of anti-SARS-CoV-2 secondary metabolites from the heartwood of Pterocarpus santalinus using multi-informative molecular networking.

ABSTRACT: A pigment-depleted extract from the heartwood of Pterocarpus santalinus L. f. (PS-DE) showed promising anti-SARS-CoV-2 activity with an IC₅₀ of 29.9 μg/mL in Caco-2-F03 cells. To determine the potential active constituents within the extract prior to isolation, multi-informative molecular network (MN) was applied. Therefore, the extract was separated by high-performance counter-current chromatography (HPCCC) into 11 fractions which were subsequently tested for anti-SARS-CoV-2 activity and analysed by UPLC-tandem mass spectrometry (MS²). The resulting MN combines the bioactivity data of the fractions with the MS² data. The MN analysis led to the targeted isolation of seven compounds including one pterocarpan (7) reported for the first time as c

SUBMITTER: Wasilewicz A 

PROVIDER: S-EPMC10280016 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature