UHPLC-QTOF-ESI-MS/MS, SNAP-MS Identification, In Silico Prediction of Pharmacokinetic Properties of Constituents from the Stem Bark of <i>Holarrhena floribunda</i> (G. Don) T. Durand and Schinz (Apocynaceae).

ABSTRACT: The present work reports the bioguided isolation of constituents from the ethanol extract of Holarrhena floribunda stem bark, their identification by UHPLC-ESI-QTOF-MS/MS identification, and the in silico prediction of the pharmacokinetic and toxicity parameters. The crude extract, along with its n-hexane and alkaloid-rich fractions, displayed moderate to good antiplasmodial activity in vitro against chloroquine-sensitive (3D7) and multidrug-resistant (Dd2) strains of Plasmodium falciparum, with IC₅₀ values ranging from 6.54 to 43.54 µg/mL. Seventeen steroidal alkaloids (1-17) were identified in the most active fraction using UHPLC-ESI-QTOF-MS/MS, based on their fragmentation patterns and analysis with the Structural Similarity Network Annotati

SUBMITTER: Djila Possi FL 

PROVIDER: S-EPMC12564223 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature