Bioscience Evidence 2024, Vol.14, No.4, 184-194 http://bioscipublisher.com/index.php/be 186 α-Pinene is an effective inhibitor of acetylcholinesterase activity (Miyazawa and Yamafuji, 2005), possessing neuroprotective properties that can calm the central nervous system and thus inhibit the onset of anxiety (Khoshnazar et al., 2020; Allenspach and Steuer, 2021). Limonene has a positive impact on relieving psychological tension, mood fluctuations, and sleep disorders caused by stress, with inhalation of limonene essential oil blends shown to alleviate anxiety in patients (Eddin et al., 2021). Modern pharmacology has proven that 3-Carene has sleep-inducing and antidepressant effects, as demonstrated by reduced sleep latency and increased sleep duration in mice treated with 3-Carene (Woo et al., 2019). Bornyl acetate has a central nervous system inhibitory effect, reducing neuronal excitability, thereby exerting a sedative effect that prolongs sleep duration, reduces the number of awakenings, and improves sleep quality (Matsubara et al., 2011). Preparations containing bornyl acetate, such as valerian volatile oil, are widely used in Europe and America to treat mild to moderate insomnia (Chandra Shekhar et al., 2024). These studies suggest that α-Pinene, limonene, bornyl acetate, and 3-Carene in the BVOCs of Cypress cone shells can improve anxiety, indicating that these small volatile molecules are likely the main active components responsible for the anxiety-relieving effects of Cypress cone shells (Table 1). 2.2 Target prediction of BVOCs from Cypress shells Current research indicates that the vast majority of targets are proteins, including various receptors and enzymes. According to predictions from SwissTargetPrediction, using "Probability > 0.05" as the screening criterion, 14 BVOCs were identified from the 28 BVOCs, including 3-Carene, (+)-2-Carene, Cyclofenchene, α-Thujene, and (-)-α-Pinene, which interact with 19 target protein molecules such as Alcohol dehydrogenase alpha chain (Figure 2). These targets belong to 10 categories, including Oxidoreductase, Nuclear receptor, and Lyase (Table 2). Among these, the Oxidoreductase category had the most targets, followed by Nuclear receptors and Lyases, while the remaining categories had only 1-2 targets each. 2.3 Interaction between BVOCs from Cypress shells and their targets The predicted interaction relationships between BVOCs and target molecules show that among the 14 interacting BVOCs, 10 small molecules, including β-Caryophyllene, D-Limonene, and α-Pinene, interact with CNR2 and PPARα (Table 2). Among these, β-Caryophyllene had the highest interaction probability with PPARα and CNR2, both at 0.56; D-Limonene had the next highest probability, both at 0.39; and the remaining 9 small molecules had interaction probabilities of 0.05 with PPARα and CNR2 proteins. Bornyl acetate showed interaction probabilities of 0.11 and 0.09 with VDR and AchE proteins, respectively. (-)-trans-Pinocarveol interacted with six proteins, including PTGS1 (Prostaglandin-endoperoxide synthase 1), NR1H3 (Nuclear receptor subfamily 1 group H member 3), CA4 (Carbonic anhydrase IV), CA1 (Carbonic anhydrase I), CA2 (Carbonic anhydrase II), and UGT2B7 (UDP-glucuronosyltransferase 2B7), while α-Campholenal interacted with eight proteins, including CTSD (Cathepsin D), ADH1C (Alcohol dehydrogenase gamma chain), ADH1B (Alcohol dehydrogenase beta chain), ADH4 (Alcohol dehydrogenase 4), SRD5A1 (Steroid 5-alpha-reductase 1), CYP19A1 (Cytochrome P450 19A1), ADH1A (Alcohol dehydrogenase alpha chain), and TRPV1 (Transient receptor potential cation channel subfamily V member 1), and Cyclofenchene interacted solely with SHBG (Sex hormone binding globulin), with interaction probabilities of 0.05 for all these interactions. Among the proteins interacting with bornyl acetate, VDR encodes the Vitamin D3 receptor (Salem et al., 2023). Research has shown that a lack of Vitamin D may lead to anxiety and other mental health issues, with individuals having low Vitamin D levels more prone to anxiety symptoms, which can be significantly alleviated by Vitamin D supplementation (Zhu et al., 2020; Kouba et al., 2022). Since VDR is a target of bornyl acetate in Cypress cone BVOCs, it indicates that bornyl acetate released from Cypress shells may influence the activity of the Vitamin D3 receptor, VDR. Among the proteins interacting with bornyl acetate, AchE acetylcholinesterase can degrade acetylcholine, terminating the excitation of the postsynaptic membrane and ensuring normal nerve signal transmission, thereby relieving excessive neural excitation (Scacchi et al., 2009). As AchE is a target of bornyl acetate in Cypress cone BVOCs, it suggests that bornyl acetate released from Cypress shells may influence nerve signal transmission, exerting a calming and soothing effect.
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