Utilizing network pharmacology and molecular docking, potential active constituents of Ziziphi Spinosae Semen-Schisandrae Sphenantherae Fructus were screened and validated. Evaluation metrics were established based on the content determination parameters for Ziziphi Spinosae Semen and Schisandrae Sphenantherae Fructus in the 2020 edition of the Chinese Pharmacopoeia. Weight coefficients for each component were derived using the Analytic Hierarchy Process (AHP), with a comprehensive score subsequently calculated as the process evaluation index. Optimization of the ethanol extraction procedure for Ziziphi Spinosae Semen-Schisandrae Sphenantherae Fructus was achieved through the application of the Box-Behnken method. A study on the Ziziphi Spinosae Semen-Schisandrae Sphenantherae Fructus drug pair identified spinosin, jujuboside A, jujuboside B, schisandrin, schisandrol, schisandrin A, and schisandrin B as the significant constituents. Process evaluation indicators were precisely determined through the integration of network pharmacology and molecular docking, resulting in a stable and optimized procedure. This experimental foundation will support the manufacturing of preparations with Ziziphi Spinosae Semen and Schisandrae Sphenantherae Fructus.
The study's objective was to identify the bioactive components within crude and stir-baked hawthorn responsible for spleen strengthening and digestion enhancement, respectively. A partial least squares (PLS) algorithm was used to model the spectrum-effect relationship, elucidating the hawthorn processing mechanism. Firstly, aqueous extracts of stir-baked hawthorn, categorized by their distinct polar fractions, were individually prepared, along with combinations of these fractions. Using ultra-high-performance liquid chromatography-mass spectrometry, the 24 chemical components present were measured and identified. The gastric emptying and small intestinal propulsion rates were quantified to measure the effect of different polar fractions in crude hawthorn and stir-baked hawthorn aqueous extracts, including their combined administration. In the final analysis, the PLS algorithm was applied to create a spectrum-effect relationship model. Chaetocin purchase The study's findings revealed significant differences in the composition of 24 chemical components in the polar fractions of both crude and stir-baked hawthorn aqueous extracts and their mixed preparations. Treatment with these polar fractions, including their combinations, demonstrably enhanced the gastric emptying rate and the rate of small intestinal propulsion in the experimental rats. Crude hawthorn, as determined by PLS models, exhibited bioactive components including vitexin-4-O-glucoside, vitexin-2-O-rhamnoside, neochlorogenic acid, rutin, gallic acid, vanillic acid, citric acid, malic acid, quinic acid, and fumaric acid. In contrast, stir-baked hawthorn displayed bioactive components of neochlorogenic acid, cryptochlorogenic acid, rutin, gallic acid, vanillic acid, citric acid, quinic acid, and fumaric acid. Data from this study validated the identification of bioactive compounds in both raw and stir-fried hawthorn, furthering our understanding of the processing methods employed.
An examination of the effects of immersing Pinelliae Rhizoma Praeparatum in lime water on lectin protein toxicity was undertaken, along with an explanation of the scientific principles underpinning lime water detoxification during processing. Western blot analysis was performed to assess the consequences of exposure to lime water (pH 10, 11, and 124), saturated sodium hydroxide, and sodium bicarbonate on the amount of lectin protein. Determination of the protein content within the supernatant and precipitate, subsequent to the immersion of lectin protein in lime water solutions of differing pH levels, was executed via SDS-PAGE analysis combined with silver staining. To analyze the distribution of peptide fragment molecular weights in both supernatant and precipitate, after immersing lectin protein in lime water solutions with varying pH values, MALDI-TOF-MS/MS was employed. The technique of circular dichroism spectroscopy tracked concomitant changes in the lectin protein's secondary structure during the immersion period. Submerging samples in lime water, characterized by a pH exceeding 12, along with a saturated sodium hydroxide solution, substantially diminished the level of lectin protein; however, the use of lime water with a pH below 12 and sodium bicarbonate solution proved ineffective in altering the lectin protein content. Treatment of the lectin protein with lime water at a pH above 12 caused the absence of 12 kDa lectin protein bands and molecular ion peaks in both supernatant and precipitate fractions. This was attributed to the significant disruption of the secondary structure, leading to irreversible denaturation. Treatments at a lower pH did not produce any detectable change in the lectin's secondary structure. Therefore, the requirement of a pH above 12 was fundamental to the detoxification of lime water during the process of producing Pinelliae Rhizoma Praeparatum. Lime water immersion, with a pH above 12, may cause the irreversible denaturation of lectin proteins within *Pinelliae Rhizoma Praeparatum*, leading to a significant decrease in its inflammatory toxicity and subsequently its role in detoxification.
A crucial role in plant growth and development, secondary metabolite biosynthesis, and responses to both biotic and abiotic stresses is played by the WRKY transcription factor family. Employing the PacBio SMRT high-throughput platform, the present study performed full-length transcriptome sequencing on Polygonatum cyrtonema, leading to the identification of the WRKY family through bioinformatics analysis. The analysis further encompassed an examination of its physicochemical properties, subcellular localization, evolutionary history, and conserved sequence motifs. Following the removal of redundant information, the findings included 3069 gigabases of nucleotide bases and 89,564 transcripts. A mean transcript length of 2,060 base pairs was observed, coupled with an N50 value of 3,156 base pairs. Based on comprehensive transcriptome sequencing, a selection of 64 WRKY transcription factor candidates was made, exhibiting protein sizes ranging from 92 to 1027 amino acids, molecular weights from 10377.85 to 115779.48 kDa, and isoelectric points from 4.49 to 9.84. Predominantly located in the nucleus, the WRKY family members were categorized as belonging to the hydrophobic protein group. Upon analyzing the phylogeny of the WRKY family in *P. cyrtonema* and *Arabidopsis thaliana*, seven subfamilies were categorized. *P. cyrtonema* WRKY proteins showed a non-uniform distribution across these subgroups. Expression pattern analysis demonstrated that the 40 WRKY family members exhibited diverse expression patterns in the rhizomes of one- and three-year-old P. cyrtonema plants. The expression of 39 WRKY family members, with the sole exception of PcWRKY39, displayed down-regulation in the three-year-old samples analyzed. Ultimately, this investigation furnishes a wealth of reference data for genetic research concerning *P. cyrtonema*, establishing a groundwork for a deeper examination of the biological roles undertaken by the WRKY family.
Aimed at understanding the structure of the terpene synthase (TPS) gene family in Gynostemma pentaphyllum and its influence on tolerance to abiotic factors, this study investigates its composition. Chaetocin purchase Utilizing bioinformatics approaches, the G. pentaphyllum TPS gene family was comprehensively identified and analyzed at the genome-wide level, and the expression of these family members was investigated in diverse G. pentaphyllum tissues and under various abiotic stress situations. G. pentaphyllum possessed 24 members of the TPS gene family, and the protein sequences exhibited lengths varying between 294 and 842 amino acids. All elements, unevenly distributed on the 11 chromosomes of G. pentaphyllum, were localized specifically to the cytoplasm or chloroplasts. Based on the phylogenetic tree, the G. pentaphyllum TPS gene family's members are demonstrably divided into five subfamilies. Through the examination of promoter cis-acting elements, the TPS gene family members in G. pentaphyllum are predicted to show responses across a range of abiotic stresses, such as salt, low temperatures, and darkness. Gene expression analysis of G. pentaphyllum tissues uncovered nine TPS genes that exhibited tissue-specific expression patterns. Analysis of qPCR data revealed GpTPS16, GpTPS17, and GpTPS21's responsiveness to a range of abiotic stressors. Future exploration of the biological mechanisms of G. pentaphyllum TPS genes in response to abiotic stressors is anticipated to benefit from the references generated by this study.
Based on rapid evaporative ionization mass spectrometry (REIMS), combined with machine learning, the study examined the unique fingerprints of 388 Pulsatilla chinensis (PC) root samples, and those of their common counterfeits, including P. cernua and Anemone tomentosa roots. Through dry burning, REIMS determined the samples, and the consequent data underwent cluster analysis, similarity analysis (SA), and principal component analysis (PCA). Chaetocin purchase Employing principal component analysis (PCA) for dimensionality reduction, the data were subsequently examined through similarity analysis and self-organizing maps (SOMs) prior to model construction. The results demonstrated that the samples' REIMS fingerprints displayed traits characteristic of variety variations, and the SOM model effectively differentiated PC, P. cernua, and A. tomentosa. The prospect of applying Reims combined with machine learning algorithms is extensive in the field of traditional Chinese medicine.
To determine the correlation between habitat and Cynomorium songaricum's active components and mineral composition, 25 samples from various Chinese habitats were analyzed. The concentrations of 8 key active components and 12 mineral elements were measured in each sample. Analyses of diversity, correlations, principal components, and clusters were conducted. C. songaricum displayed a high genetic diversity in total flavonoids, ursolic acid, ether extract, potassium (K), phosphorus (P), and zinc (Zn), according to the research findings.