Uncovering the pharmacological mechanism of the effects of the Banxia-Xiakucao Chinese Herb Pair on sleep disorder by a systems pharmacology approach

Abstract

Sleep disorder (SD) has a high incidence and seriously affects quality of life, mental health and even the manifestation of physical diseases. The combination of Pinellia ternata (Chinese name: banxia) and Prunella vulgaris (Chinese name: xiakucao), known as the Banxia–Xiakucao Chinese herb pair (BXHP), is a proven Chinese herbal medicine that has been used to treat SD for thousands of years due to its significant clinical effects. However, its active pharmacological components and sedative–hypnotic mechanisms have not been fully elucidated. Thus, the present study used a systematic pharmacological approach to develop pharmacokinetic screens and target predictions via construction of a protein–protein interaction network and annotation database for SD-related and putative BXHP-related targets. Visualization, screening and integrated discovery enrichment analyses were conducted. The BXHP chemical database contains 166 compounds between the two herbal ingredients, and of these, 22 potential active molecules were screened by pharmacokinetic evaluation. The targets of 114 of the active molecules were predicted, and 34 were selected for further analysis. Finally, gene ontology and Kyoto Encyclopedia of Genes and Genomes pathway analyses suggested that BXHP can reduce inflammatory responses. and mediate immune-related and central nervous system neurotransmitters via regulation of multiple targets and pathways. The use of a systematic pharmacology-based approach in the present study further elucidated the mechanisms of action underlying BXHP for the treatment of SD from a holistic perspective and sheds light on the systemic mechanisms of action of Chinese herbal medicines in general.

Water-Extracted Prunella vulgaris Alleviates Endometriosis by Reducing Aerobic Glycolysis

“…Inhibition of PDK3 activity or expression levels increases mitoROS, oxidative phosphorylation, and pyruvate dehydrogenase activity under normoxic conditions ( Kluza et al, 2012 ). Other pharmacology and molecular docking analyses have revealed that P. vulgaris (in both plant and prepared medicine forms) affects HIF-1α and the apoptosis signaling pathway in sleep disorders ( Guo et al, 2020 ), thyroiditis ( Shen et al, 2020 ), and diabetes mellitus ( Jiao et al, 2021 ). Moreover, UA and its derivatives have been trialed as HIF-1α inhibitors with anticancer potential ( Shan et al, 2016 ; Wang et al, 2016 ; Chi et al, 2017 ).…”

Potential mechanisms of traditional Chinese medicine in treating insomnia: A network pharmacology, GEO validation, and molecular-docking study

“…Sun et al [ 58 ] showed that SXD exhibited beneficial sedative and hypnotic bioactivity by modulating serotoninergic function and the immune system. Guo et al [ 59 ] performed systematic pharmacological research and found that SXD could treat sleep disorders by reducing inflammatory responses and regulating the immune and central nervous systems. Zhong et al [ 60 ] found that the essential oil of ZS potentially exerted sedative and hypnotic effects by regulating the GABAergic system pathway in mice with PCPA-induced insomnia.…”

Uji Efektivitas Sedatif-Hipnotik Ekstrak Daun Keji Beling (Strobilanthes crispa Blume) terhadap Mencit Putih Jantan

“…Salah satunya yaitu terkait aktivitas sedatif-hipnotik. Tumbuhan memiliki kemampuan sedatif hipnotik karena mengandung senyawa d-limonen, linalool, linalil asetat, santalol, kaemferol, luteolin, b-sitosterol, stigmasterol, dan baicalein (Guo et al 2020;Zhong et al 2019). Beberapa senyawa tersebut juga terdapat dalam daun keji beling (Strobilanthes crispus L.) dan telah dibuktikan oleh (Inayah et al, 2021) secara in-silico dengan metode molecular docking bahwa kandungan d-limonen dalam daun keji beling merupakan senyawa yang paling berpotensi sebagai sedatif hipnotik karena memiliki nilai energi ikatan sebesar (-4,2 kkal/mol) mendekati nilai energi ikatan dengan ligan alami reseptor GABA (-4,3 kkal/mol) dan benzodiazepin sebagai kontrol positif (-4,4 kkal/mol).…”