Identifying Key Metabolites in South African Medicinal Plants Using Dual Electrospray Ionization Metabolomics.

ABSTRACT: Despite growing interest in South African medicinal plants, advanced metabolomic workflows that integrate positive (ESI+) and negative (ESI-) ionization modes in UPLC-MS/MS remain sparsely applied to South African flora, and especially to Acorus calamus and Lippia javanica species. Herein, application of a dual-polarity (positive (ESI+) and negative (ESI-) ionization modes) using an untargeted UPLC-MS/MS workflow, integrated with HEK293T cytotoxicity screening, to map their metabolomes, and rank potential signature metabolites for targeted antiviral follow-up. SwissADME supported in silico drug-likeness. Neither plant extract was cytotoxic across the concentration range, with absorbance-based cell viability of 73.82% for L. javanica and 77.23% for A. calamus at

SUBMITTER: Makhafola MA 

PROVIDER: S-EPMC12844898 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature