Vasodilatory constituents of essential oil from Nardostachys jatamansi DC.: Virtual screening, experimental validation and the potential molecular mechanisms

• DOI: 10.1016/j.arabjc.2023.104911
• Publication Date: 2023-04-17T16:01:09Z
• Authors: Bian-Xia Xue; Si-Xia Liu; Patrick Kwabena O...; Nana Ama Mireku-G...; Li-Hua Zhang; Qilong Wang; Hong-Hua Wu
• Keywords: 0301 basic medicine; Spectrum-effect relationship; Chemistry; 03 medical and health sciences; Nardostachys jatamansi DC; GC/MS; Vasodilatation; QD1-999; Essential oil; Network pharmacology

Recent studies have demonstrated that the essential oil of Nardostachys jatamansi (EONJ) has potential health benefits, such as reducing blood pressure, protecting heart, and relaxing vessels. However, active constituents underlying molecular mechanisms are still unclear. In this study, we utilized GC–MS to identify chemical EONJ tested its vasodilatory effects on constricted isolated thoracic aorta rings from mice. We then combined network pharmacology with spectrum-effect relationship approaches select marker ingredients uncover possible vascular protective mechanism EONJ. Among four main chemicals screened in work, β-maaliene patchouli alcohol exhibited varying levels isolated, aortic rings. Bioinformatics analyses revealed EONJ's primary biological regulation targets were NOS3 PTGS2. Moreover, may exert by modulating lipid atherosclerosis PI3K-AKT signaling pathways. This study provides first report The findings serve a reference for quality evaluation, identification bioactive markers, future applications prevention treatment cardiac diseases.