Bioactive structural basis of proteoglycans from Sarcandra glabra based on spectrum-effect relationship

Area of Science:

• Phytochemistry
• Pharmacology
• Chemometrics

Background:

• Proteoglycans from Sarcandra glabra exhibit significant antitumor and antioxidant properties.
• Variability in raw material sources can impact the efficacy of natural extracts.
• Accurate identification of S. glabra is crucial for understanding component-activity relationships.

Purpose of the Study:

• To establish a spectrum-effect relationship for Sarcandra glabra proteoglycans.
• To identify bioactive structural markers using chemometric methods.
• To correlate structural characteristics with pharmacological activity.

Main Methods:

• Established multiple fingerprints (HPSEC, PMP-HPLC, FT-IR) for 18 S. glabra proteoglycan batches.
• Assessed antitumor and antioxidant activities.
• Applied mathematical analysis for spectrum-effect relationship determination.

Main Results:

• Principal Component Analysis (PCA) identified monosaccharides (Xyl, Rha, GlcA), carboxyl, peptide, and methylene groups as distinguishing markers.
• Partial Least Squares Discriminant Analysis (PLS-DA) linked GlcA, Xyl, Fuc, β-glycosidic bonds, peptide linkage, and methylene groups to inhibitory activity.
• Xyl, GlcA, GlcN, pyranose ring, carboxyl group, peptide linkage, and methylene structure were associated with antioxidant activity.

Conclusions:

• Spectrum-effect relationship analysis successfully identified material bases influencing pharmacological efficacy.
• This research provides a foundation for understanding structure-activity relationships in Traditional Chinese Medicine glycoconjugates.