Efficient Discovery Of Quality Control Markers For Gastrodia Elata Tuber By Fingerprint-Efficacy Relationship Modelling

IntroductionGastrodia elata tuber (GET) has been widely used in China as a famous herbal medicine. However, the quality control markers (QCMs) for GET still need further investigation.ObjectiveTo develop a rational strategy based on fingerprint-efficacy relationship modelling to discover the efficacy-related QCMs, using GET as a case study.MethodologyThe high-performance liquid chromatography (HPLC) fingerprints of 13 batches of GET extracts were established and 10 common peaks were structurally characterised by HPLC coupled with quadrupole time-of-flight mass spectrometry (QTOF-MS). The neuroprotective effects of GET samples were evaluated using the in vitro model of -amyloid peptide (A(25-35))-induced PC12 cell death. The fingerprint-efficacy relationship of chemical fingerprints and neuroprotective effects was linked by orthogonal projection to latent structure-discriminant analysis (OPLS-DA) model.ResultsThe chemical combination of 5-hydroxymethyl-2-furaldehyde (5-HMF), parishin B (PB) and parishin C (PC) was discovered and confirmed as QCMs of GET by the OPLS-DA method. The selected QCMs allowed to evaluate the relative quality of GET samples.ConclusionThis study has demonstrated that the rational strategy based on fingerprint-efficacy relationship modelling might be generally applicable for the quality control of herbal medicines. Copyright (c) 2017 John Wiley & Sons, Ltd.The fingerprint-efficacy relationship modelling between chemical fingerprint and bioactivity was developed for discovering the efficacy-related quality control markers (QCMs), using Gastrodia elata tuber (GET) as a case study. The chemical combination of 5-hydroxymethyl-2-furaldehyde, parishin B and parishin C was discovered by orthogonal projection to latent structure-discriminant analysis model and confirmed as QCMs of GET by the orthogonal projection to latent structure-discriminant analysis method. This fingerprint-efficacy relationship modelling strategy might be generally applicable for the quality control of herbal medicines.