Spectrum–effect relationship between GC‐QTOF‐MS fingerprint and antioxidant, anti‐inflammatory activities of Schizonepeta tenuifolia essential oil

Abstract

Schizonepeta tenuifolia (Benth.) Briq, a traditional Chinese medicine, is an annual herbaceous plant that is widely distributed in China, Japan, and Korea. The essential oil (EO) of S. tenuifolia has antioxidant and anti-inflammatory properties. However, the components contributing to its antioxidant and anti-inflammatory activities remain unclear. This study was aimed at investigating the spectrum-effect relationship between GC-MS fingerprint and the antioxidant and anti-inflammatory effects of S. tenuifolia EO. Here, the fingerprints of EO from 10 batches of S. tenuifolia from various sources were established using GC-MS, and the antioxidant and antiinflammatory bioactivities were evaluated using 2,2-diphenyl-1-picrylhydrazyl and nitric oxide inhibitory assays, respectively. Finally, 13 common peaks were identified from 10 batches of S. tenuifolia by searching against the standard mass spectra in NIST 14 and comparing the literature retention index. The different sources of S. tenuifolia EO exhibit mild antioxidant activities and significant anti-inflammatory effects. In particular, menthone (peak 3), isomenthone (peak 4), pulegone (peak 7), piperitone (peak 8), and β-caryophyllene (peak 11) might be the dominant constituents responsible for the antioxidant and anti-inflammatory activities of S. tenuifolia EO. This method may provide a time-saving, convenient way to screen the potential effective components of S. tenuifolia EO.

Spectrum effect correlation of yangyin tongnao granules on cerebral ischemia-reperfusion injury rats

“…Mathematical models are often used to evaluate the relationship between the fingerprints of TCM compounds and their efficacy as well as to determine the chromatographic peaks closely related to pharmacodynamics from the fingerprints ( Feng et al, 2020 ; Bai et al, 2021 ). We had previously investigated the in vitro spectrum-activity relationship of YYTNG ( Yu et al, 2021 ).…”

Multivariate Statistical Analysis Uncovers Spectrum–Effect Relationship between HPLC Fingerprints and Antioxidant Activity of Saffron

“…e grey correlation degree of all peaks was higher 10 Journal of Chemistry than 0.6, which indicated that the antioxidant activity was caused by common functions of several components [32].…”

“…For example, chlorogenic acid and 3,4-dicaffeoylquinic acid from Lonicerae Japonicae Flos and Lonicerae Flos were selected as the major antibacterial components by spectrum-effect relationships [31]. Menthone, isomenthone, pulegone, piperitone, and β-caryophyllene were identified as the dominant constituents responsible for the antioxidant and anti-inflammatory activities of S. tenuifolia essential oil [32]. In Chinese Pharmacopoeia (2020 edition), the contents of picrocrocin were newly used as the quality control standard for saffron, coupled with the content of crocins I and II.…”

Discrimination and Characterization of the Volatile Organic Compounds in Schizonepetae Spica from Six Regions of China Using HS-GC-IMS and HS-SPME-GC-MS

“…Chemical studies showed that SS contained volatile organic compounds (VOCs), flavonoids, and organic acids, among which VOCs were the main medicinal component, and pharmacological activities of VOCs possess anti-inflammatory, antineoplastic, and antiviral properties [ 1 , 2 , 3 , 4 , 5 , 6 , 7 ]. Studies on SS mainly focus on volatile oil extraction and bioactive ingredients, but the overall characterization of VOCs of SS from different sources is not comprehensive enough [ 8 ].…”