Bioscience Evidence 2024, Vol.14, No.4, 184-194 http://bioscipublisher.com/index.php/be 184 Research Article Open Access Screening BVOCs in Cypress Cones to Improve Anxiety and Insomnia and Target Prediction Xiangjun Dong College of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, 301617, China Corresponding email: dong-xiangjun@qq.com Bioscience Evidence, 2024, Vol.14, No.4 doi: 10.5376/be.2024.14.0020 Received: 20 Jul., 2024 Accepted: 25 Aug., 2024 Published: 04 Sep., 2024 Copyright © 2024 Dong, This is an open access article published under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Preferred citation for this article: Dong X.J., 2024, Screening BVOCs in Cypress cones to improve anxiety and insomnia and target prediction, Bioscience Evidence, 14(4): 184-194 (doi: 10.5376/be.2024.14.0020) Abstract The Cypress (Platycladus orientalis (L.) Franco) cones have a unique aroma and are commonly used in pillow fillings to alleviate anxiety and insomnia. In this study, gas chromatography-mass spectrometry (GC-MS) was employed to extract and analyze the biogenic volatile organic compounds (BVOCs) from Cypress cone shells, identifying a total of 28 components, with terpenoids comprising over 99% of the total. α-Pinene was the predominant component, accounting for 67% of the total content (176.328 μg/g). Target prediction identified significant interactions between 14 BVOCs and 19 protein targets, with (-)-α-Pinene, limonene, bornyl acetate, and 3-carene being potential key components for alleviating anxiety and insomnia. The primary targets were VDR (Vitamin D receptor), AchE (Acetylcholinesterase), CTSD (Cathepsin D), TRPV1 (Transient Receptor Potential Cation Channel Subfamily V Member 1), CNR2 (Cannabinoid receptor 2), and PPARα (Peroxisome proliferator-activated receptor alpha), which are mainly involved in neurotransmission and circadian rhythm regulation. Molecular docking simulations showed that the binding of α-Pinene and β-caryophyllene to PPARα and CNR2 proteins was primarily driven by hydrophobic forces, with binding energies ranging from -5.17 to -7.83 kcal/mol, suggesting that these BVOCs might alleviate anxiety and insomnia by influencing related functional proteins. This study reveals the potential mechanisms by which Cypress cone shells may help alleviate anxiety and insomnia. Keywords Cypress cones (Platycladus orientalis (L.) Franco); Biogenic volatile organic compounds; Target protein; Anxiety; Insomnia 1 Introduction In recent years, the incidence of anxiety and insomnia has been steadily increasing, with estimates suggesting that by 2030, approximately 27% of the global population will suffer from sleep disorders (Ren et al., 2019). This issue has become a significant global health challenge. Modern medicine primarily relies on sedative-hypnotic drugs for treatment, but long-term use can lead to drug dependence and other adverse effects, highlighting the urgent need for effective alternative therapies. Traditional Chinese medicine (TCM) has a long history of using aromatic therapies to treat insomnia and anxiety. Through methods such as inhalation, washing, fumigation, and oral administration, aromatic medicines are absorbed by the human body and regulate bodily functions (Yang, 2018). Modern research has found that inhaling plant aromas can effectively alleviate tension and anxiety, while also improving circulation and endocrine functions, thereby promoting sleep (Knasko et al., 1990; Moss et al., 2010). The primary components of these aromas are volatile organic compounds (VOCs) such as hydrocarbons, alcohols, and aldehydes, which are highly lipophilic and can quickly penetrate mucous membranes and the blood-brain barrier to reach the brain (Miao et al., 2013). Studies have shown that anxiety and insomnia are often closely linked to abnormalities in nervous system function. After being absorbed, aroma molecules can influence brain regions such as the hippocampus, amygdala, and hypothalamus, modulating neurotransmitter transmission to produce calming and relaxing effects, thereby improving anxiety and insomnia (Li et al., 2015; Lin and Zhang, 2017). In drug development, target screening is a crucial step in studying the mechanisms of action. Structure-based target prediction allows for the efficient identification of disease-related active targets from a multitude of molecular structures. Current research indicates that volatile compounds can interact with synaptic transmission-related targets, inhibiting neurotransmission and thereby affecting brain function (Kress, 1992;
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