Targeting Anti-Cancer Lead Compounds: A Strategic Approach to Isolate and Characterize by NMR, Mass, FTIR from the Complex Matrix of Tripterygium wilfordii

Abstract

Tripterygium wilfordii Hook. F. (Thunder God Vine) is a renowned medicinal plant with significant anticancer potential, attributed to its complex phytochemical profile. However, the isolation and characterization of its bioactive constituents present a major challenge due to the abundance of structurally similar compounds. This study details a systematic bioactivity-guided approach to isolate and characterize anticancer leads from the ethanolic leaf extract of T. wilfordii. The extract was subjected to bioassay-guided fractionation using column chromatography, yielding two potent pure isolates (A and B). The structural elucidation of these compounds was achieved through a comprehensive spectroscopic analysis integrating Fourier-Transform Infrared (FTIR) spectroscopy, 1H Nuclear Magnetic Resonance (NMR), 13C NMR, and Mass Spectrometry (MS). The isolates were unequivocally identified as the potent quinone methide triterpenoid, Celastrol (Compound B), and the diterpenoid lactone, Wilforlide A (Compound A). The successful application of this multi-stage analytical strategy—from extraction and fractionation to definitive spectroscopic characterization—provides a robust and efficient framework for unlocking the therapeutic potential of T. wilfordii, facilitating the discovery of novel anticancer agents from this chemically rich botanical source.