CHEMICAL ENGINEERING JOURNAL
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2025
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IF 13.2
Mengying Zhang,Kuiwang Chen,Mengfei Tian,Xiaolong Yang,Jiahui Gong,Qi Liang,Xiaofei Xie,Chunying Li,Chunjian Zhao
Traditional solid-phase extraction techniques frequently suffer from insufficient molecular recognition capability, especially when discriminating structurally analogous compounds. To overcome this challenge, we developed a novel thermoresponsive molecularly imprinted resin (TMIR-PDA@X-5) via a multi-dimensional functionalization strategy, enabling highly selective adsorption of psoralen (PSO). The X-5 macroporous resin provided an ideal scaffold with its three-dimensional porous structure and high surface area. A polydopamine (PDA) interlayer was formed via in situ self-assembly, enabling stable functional group grafting. The material combined N-isopropylacrylamide (NIPAM) and 4-vinylphenylboronic acid (4-VPBA) to achieve intelligent molecular recognition: 4-VPBA selectively bound PSO through hydrogen bonding and π-π interactions, while NIPAM’s thermoresponsive properties created a temperature-regulated “molecular gate”. The contraction of polymer chains above the lower critical solution temperature (LCST) exposed the imprinted cavities, resulting in a PSO adsorption capacity of 56.32 mg·g −1 . Meanwhile, reversible temperature regulation below the LCST achieved a desorption efficiency of 91.95 %. The reusability of TMIR-PDA@X-5 was evaluated through ten adsorption–desorption cycles, demonstrating excellent performance with 81.72 % retention of its initial adsorption capacity. Moreover, the material maintained a high desorption rate of 87.29 %, underscoring its potential for sustainable applications. The application of TMIR-PDA@X-5 for the adsorption of the Ficus carica L. leaf extract achieved a high PSO adsorption efficiency of 85.83 %. This work presents a green solid-phase extraction filler, offering a novel strategy for the selective separation of natural products using molecularly imprinted material.
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FOOD CHEMISTRY
·
2026
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IF 9.8
Xinye Shi,Hang Su,Jing Tang,Yajing Zhang,Songtao Li,Yanhui Zhong,Zian Lin
Furanocoumarins (FCMs) are a group of organic compounds abundantly found in citrus fruits. Excessive intake is closely associated with increased incidence of skin cancer. Consequently, the development of an efficient approach for in vivo determination of FCMs in citrus fruits is of critical importance. In this study, 1,3,5-tris (4-aminophenyl) benzene (TAPB) and 2,4-dihydroxybenzene-1,3,5-tricarbaldehyde (DHTA) were used to synthesize covalent organic framework (COF) as a solid phase microextraction (SPME) probe. The probe showed highly ordered porosity (1.49 nm), outstanding stability, and hydrophobicity. With respect to these superiorities, it was coupled with electrospray ionization mass spectrometry (ESI/MS) to achieve the detection of six FCMs with high enrichment factors (71.3–108.5), and low detection limits (0.003–0.160 μg L −1 ). The platform was used with great success for the in vivo analysis of FCMs in four citrus fruits, indicating that this platform had good prospects as a powerful instrument for in vivo monitoring fruits.
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JOURNAL OF ETHNOPHARMACOLOGY
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2023
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IF 5.4
Yujie Lu,Man Zhang,Jin Zhang,Min Jiang,Gang Bai
Ethnopharmacological relevance Psoralea corylifolia L. seeds ( P. corylifolia ), popularly known as Buguzhi in traditional Chinese medicine , are often used to treat osteoporosis in China. Psoralen (Pso) is the key anti-osteoporosis constituent in P. corylifolia , however, its targets and mechanism of action are still unclear. Aim of the study The purpose of this study was to explore the interaction between Pso and 17-β hydroxysteroid dehydrogenase type 2 (HSD17B2), an estrogen synthesis-related protein that inhibits the inactivation of estradiol (E2) to treat osteoporosis. Materials and methods Tissue distribution of Pso was analyzed by in-gel imaging after oral administration of an alkynyl-modified Pso probe (aPso) in mice. The target of Pso in the liver was identified and analyzed using chemical proteomics. Co-localization and cellular thermal shift assays (CETSA) were used to verify the key action targets. To detect the key pharmacophore of Pso, the interaction of Pso and its structural analogs with HSD17B2 was investigated by CETSA, HSD17B2 activity assay, and in-gel imaging determination. Target competitive test, virtual docking, mutated HSD17B2 activity, and CETSA assay were used to identify the binding site of Pso with HSD17B2. A mouse model of osteoporosis was established by ovariectomies, and the efficacy of Pso in vivo was confirmed by micro-CT, H&E staining, HSD17B2 activity, and bone-related biochemical assays. Results Pso regulated estrogen metabolism by targeting HSD17B2 in the liver, with the α, β-unsaturated ester in Pso being the key pharmacophore. Pso significantly suppressed HSD17B2 activity by irreversibly binding to Lys236 of HSD17B2 and preventing NAD + from entering the binding pocket. In vivo studies in ovariectomized mice revealed that Pso could inhibit HSD17B2 activity, prevent the inactivation of E2, increase levels of endogenous estrogen, improve bone metabolism-related indices, and play a role in anti-osteoporosis. Conclusions Pso covalently binds to Lys236 of HSD17B2 in hepatocytes to prevent the inactivation of E2, thereby aiding in the treatment of osteoporosis.
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INDUSTRIAL CROPS AND PRODUCTS
·
2023
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IF 5.9
Liangliang Han,Libo Zhang,Yuedong He,Lijing Liao,Junde Li,Sheng Xu,Yucheng Zhao,Xiaohong Bian,Yuanzheng Xia
As a popular medicinal plant , Angelica dahurica has been attached to great importance in herbal medicine . Its main active compounds are furanocoumarins (FCs) including imperatorin and isoimperator which exhibit anti-oxidant, anti-tumor, and anti-virus activities. However, the enzymes catalyzing the crucial step of FCs’ biosynthesis pathway remain unidentified. This study initially screened six prenyltransferases (PTs)-coding sequences through transcriptome and gene expression profile analysis. Combined with qRT-PCR and in vitro enzyme activity verification, two C-PTs ( Ad PT1, 2) which convert umbelliferone to 7-demethylsuberosin (DMS), and one O-PT ( Ad PT3) which transforms xanthotoxol to imperatorin were identified. Among these PTs, Ad PT2 also produces a trace amount of osthenol from umbelliferone. Homologous modeling, molecular docking , and site-directed mutagenesis analysis were also conducted and it is discovered that Asp301 and Asp305 in the two Asp-rich regions are vital for the activity of Ad PT1. The study is the first to conduct a frontier exploration of the biosynthesis pathways of FCs in A. dahurica and will establish a foundation for the molecular mechanism of further C-PTs and O-PTs evolutionary studies. Data and materials availability All data needed to evaluate the conclusions in this paper are present in the paper and/or in supplementary. the accession numbers of Ad PT1–3 are OP753387-OP733389, the raw RNA sequence reads are available as SRP289220.
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ACS Pharmacology & Translational Science
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2023
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IF 6
Baofei Yan,Xian Zheng,Yun Wang,Jingwen Yang,Xingyu Zhu,Mengmeng Qiu,Kexin Xia,Yongan Wang,Mian Li,Sipan Li,Xinai Ma,Jianjun Xie,Fengtao Li,Tingming Fu,Wei Li
Nonalcoholic fatty liver disease (NAFLD) is a clinicopathological entity that is typically characterized by intrahepatic ectopic steatosis. Nowadays, NAFLD has surpassed viral hepatitis and become the most common chronic liver disease worldwide, which poses a great threat to human health. Silibinin (Sil), a well-known natural product, has been widely used in clinical treatment for liver disorders and exhibited therapeutic potential for NAFLD. However, the suitability of Sil for NAFLD treatment still requires further investigation due to its limited absorption and low bioavailability. This study aimed to construct a Sil-loaded liposome (Sil-Lip) to overcome the limitations of Sil, thereby enhancing its beneficial effects on NAFLD and then investigate the underlying mechanisms of action of Sil-Lip. Herein, Sil-Lip was fabricated by a well-established thin-film dispersion method and carefully characterized, followed by evaluating their therapeutic efficacy using high-fat diet-induced NAFLD mice and free fatty acid -stimulated HepG2 cells. Then, liver transcriptome analysis and 16S ribosomal RNA (16S rRNA) sequencing were utilized to elucidate the potential mechanisms of action of Sil-Lip. Our data indicated that Sil-Lip harbored good gastrointestinal tract stability, mucus layer permeation, and excellent oral absorption and bioavailability. In vivo and in vitro NAFLD models demonstrated that Sil-Lip had better effects in alleviating lipid metabolism disorders, insulin resistance, and inflammation than did Sil alone. Further investigations revealed that the beneficial effects of Sil-Lip were mediated by modulating intrahepatic insulin resistance-related and nuclear factor-kappa B (NF-κB) signaling pathways and extrahepatic gut microbiota. Our study confirmed that Sil-Lip can effectively improve the absorption and bioavailability of Sil, resultantly potentiating its ameliorative effects on NAFLD through modulating intrahepatic insulin resistance-related and NF-κB signaling pathways and extrahepatic gut microbiota.
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Nature Communications
·
2021
·Vol. 12
·期 1
·1-12
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IF 14.919
Chen Feng,Bai Min,Cao Xiaowen,Xue Jing,Zhao Yue,Wu Na,Wang Lei,Zhang Dexin,Zhao Yongxi
Exploring spatial organization and relationship of diverse biomolecules within cellular nanoenvironments is important to elucidate the fundamental processes of life. However, it remains methodologically challenging. Herein, we report a molecular recognition mechanism cellular macromolecules-tethered DNA walking indexing (Cell-TALKING) to probe the nanoenvironments containing diverse chromatin modifications. As an example, we characterize the nanoenvironments of three DNA modifications around one histone posttranslational modification (PTM). These DNA modifications in fixed cells are labeled with respective DNA barcoding probes, and then the PTM site is tethered with a DNA walking probe. Cell-TALKING can continuously produce cleavage records of any barcoding probes nearby the walking probe. New 3’-OH ends are generated on the cleaved barcoding probes to induce DNA amplification for downstream detections. Combining fluorescence imaging, we identify various combinatorial chromatin modifications and investigate their dynamic changes during cell cycles. We also explore the nanoenvironments in different cancer cell lines and clinical specimens. In principle, using high-throughput sequencing instead of fluorescence imaging may allow the detection of complex cellular nanoenvironments containing tens of biomolecules such as transcription factors.
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CHEMISTRY & BIODIVERSITY
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2021
·Vol. 18
·期 12
·e2100633
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IF 2.408
Ying-Hui He,Xiao-Fei Shang,Hai-Xin Li,An-Ping Li,Chen Tang,Bao-Qi Zhang,Zhi-Jun Zhang,Rui Wang,Yue Ma,Sha-Sha Du,Yong-Mei Hu,Tian-Lin Wu,Wen-Bin Zhao,Cheng-Jie Yang,Ying-Qian Liu
The increasing resistance of plant diseases caused by phytopathogenic fungi highlights the need for highly effective and environmentally benign agents. The antifungal activities of Cnidium monnieri fruit extracts and five isolated compounds as well as structurally related coumarins against five plant pathogenic fungi were evaluated. The acetone extract, which contained the highest amount of five coumarins, showed strongest antifungal activity. Among the coumarin compounds, we found that 4-methoxycoumarin exhibited stronger and broader antifungal activity against five phytopathogenic fungi, and was more potent than osthol. Especially, it could significantly inhibit the growth of Rhizoctonia solani mycelium with an EC 50 value of 21 μg mL −1 . Further studies showed that 4-methoxycoumarin affected the structure and function of peroxisomes, inhibited the β-oxidation of fatty acids, decreased the production of ATP and acetyl coenzyme A, and then accumulated ROS by damaging MMP and the mitochondrial function to cause the cell death of R. solani mycelia. 4-Methoxycoumarin presented antifungal efficacy in a concentration- dependent manner in vivo and could be used to prevent the potato black scurf. This study laid the foundation for the future development of 4-methoxycournamin as an alternative and friendly biofungicide.
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Scientific Reports
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2021
·Vol. 11
·期 1
·1-12
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IF 4.38
Li Huxiao,Xu Jianrong,Li Xiaotian,Hu Yi,Liao Yue,Zhou Wei,Song Zhongchen
Psoralen is one of the most effective ingredients extracted from the Chinese herb, Psoralea corylifolia L . Studies have found that psoralen has anti-inflammatory and estrogen-like effects; however, little research has been conducted to elucidate the mechanisms underlying these effects. Through the molecule docking assay, psoralen was found to have a better combination with ERα than ERβ. In human periodontal ligament cells, psoralen was found to upregulate the estrogen target genes (e.g., CTSD, PGR, TFF1 ) and down-regulate the expression of inflammatory cytokines (TNF-α, IL-1β, IL-6 and IL-8) stimulated by P. gingivalis LPS, as well as TLR4-IRAK4-NF-κb signaling pathway proteins. These effects were reversed by the ER antagonist ICI 182780. These results indicated that psoralen may exert anti-inflammatory effects as an agonist to ER, which could provide a theoretical basis for the use of psoralen for adjuvant therapy and prevention of periodontitis.
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Frontiers in Cellular and Infection Microbiology
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2018
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IF 3.52
Li Xiaotian,Yu Chunbo,Hu Yi,Xia Xinyi,Liao Yue,Zhang Jing,Chen Huiwen,Lu Weili,Zhou Wei,Song Zhongchen
Psoralen and angelicin are two effective compounds isolated from psoraleae, a traditional Chinese medicine. They have a wide range of applications for bone disease treatment and immune modulation. In this study, we explored their new applications for the treatment of periodontal diseases. This study aimed to investigate the effects of psoralen and angelicin on Porphyromonas gingivalis growth and P. gingivalis-derived lipopolysaccharide (Pg-LPS)-induced inflammation, and further to evaluate their effects on osteogenesis. Finally, the effects of angelicin on a mouse model of periodontitis were also investigated. The results showed that psoralen and angelicin had beneficial dose-dependent effects regarding the inhibition of planktonic P. gingivalis and biofilms of P. gingivalis. There were no significant differences in the viability of monocyte-like THP-1 cells and human periodontal ligament cells (hPDLCs) treated with either psoralen or angelicin compared to the untreated control cells. Psoralen and angelicin also markedly decreased the mRNA expression and release of inflammatory cytokines (interleukin [IL]-1β and IL-8) by THP-1 cells in a dose-dependent manner. They significantly enhanced the alkaline phosphatase (ALP) activity of hPDLCs and up-regulated the expression of osteogenic proteins (runt-related transcription factor 2 [RUNX2], distal-less homeobox 5 [DLX5], and osteopontin [OPN]). Angelicin significantly attenuated alveolar bone loss and inflammation response in the mice with periodontitis. In conclusion, our data demonstrated that psoralen and angelicin could inhibit the growth of planktonic P. gingivalis and P. gingivalis biofilm. It is also the first report on the anti-inflammatory effect of psoralen and angelicin against Pg-LPS. They also had an osteogenesis-potentiating effect on hPDLCs. The in vivo study also indicated the effect of angelicin regarding protection against periodontitis. Our study highlighted the potential ability of psoralen and angelicin to act as novel natural agents to prevent and treat periodontitis.
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Analytical Methods
·
2018
·Vol. 11
·期 1
·29-35
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IF 2.073
Yuling Chen,Rong Wang,Zilin Chen
A novel porphyrin based porous organic polymer modified capillary (PPOP-capillary) was prepared for the extraction of psoralen and isopsoralen in Fructus Psoraleae. Fructus Psoraleae is an important traditional Chinese medicine in clinical therapy. Sensitive and effective extraction and determination of psoralen and isopsoralen benefit the quality control in Fructus Psoraleae and related preparations. PPOPs were immobilized on the inner wall of the capillary by a bottom-up approach. The formation of PPOPs has been confirmed by scanning electron microscopy, X-ray diffraction and Fourier transform infrared spectroscopy. An online solid phase microextraction coupled with HPLC method was developed for selective extraction and analysis of psoralen and isopsoralen in aqueous solutions. The proposed method showed a good linear range of 0.05–100 ng mL−1 with a low limit of detection of 0.01 ng mL−1. The method was also applied for the extraction of psoralen and isopsoralen in Fructus Psoraleae, which showed high enrichment efficiency and good clean-up capacity. Recoveries were calculated to be 93.3–96.7% with relative standard deviations less than 1.6%.
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Food Quality and Safety
·
2024
·
IF 3
Sun Yujing,Wang Yihua,Zhang Le,Ye Xingqian,Guo Jingtong
Furanocoumarins in citrus fruit can cause adverse drug interactions, however, there are few reports on furanocoumarins and drug interactions in common edible citrus cultivars except grapefruit. A UPLC-based method for ten furanocoumarins in citrus fruit was established and impacts on cytochrome P450 activity were investigated. Furanocoumarins were more abundant (2–43 times) in the peel than in the pulp. The pulp of Xiyou, Hongyou and Navel orange exhibited P450 inhibition with IC50 values of 0.63, 0.67 and 1.02 mg/mL, respectively. The peel of most varieties except Huyou and Satsuma exhibited P450 inhibition. Xiyou, Huangjinyou, Baiyou, Hongyou, Ponkan and Navel orange had IC50 values of 0.33, 0.38, 0.76, 0.35, 0.43 and 0.37 mg/mL, respectively. These findings indicate that the consumption of the pulp of popular Chinese varieties of citrus fruit except for Xiyou, Hongyou and Navel orange has a low risk of drug interactions, and use of citrus products including peel may carry a significant risk of adverse drug interactions.
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ARCHIVES OF INSECT BIOCHEMISTRY AND PHYSIOLOGY
·
2024
·Vol. 117
·期 3
·e70004
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IF 1.5
Kai Tian,Jiang Zhu,Xinghui Qiu
Furanocoumarins are a class of chemical compounds with phototoxic properties. For herbivores, efficient detoxification of such defense compounds is the prerequisite to feed successfully on furanocoumarin-containing plants. The cotton bollworm Helicoverpa armigera is a very important polyphagous pest in agriculture, but how it copes with toxic furanocoumarins in some of its host plants is not well understood. Given that cytochrome P450s are well known for their capacity in xenobiotic metabolism, this study attempted to explore the potential roles of cytochrome P450s in furanocoumarin transformation in this pest. Our data showed that two linear structures (psoralen and xanthotoxin) could be metabolized by three recombinant CYP9A enzymes, but no detectable depletion was observed for the linear one with the 8-dimethylallyloxy substituent on the coumarin moiety (imperatorin) and the angular furanocoumarin (angelicin). Initial epoxidation of the double bond connecting C2' and C3' of the furano ring following by cleavage of the epoxidated furan ring, leading to the formation of more soluble, less reactive and nonphotosensitizing metabolites, was identified as a common mechanism of linear furanocoumarin metabolism using a quadrupole/time-of-flight (Q-TOF) mass spectrometry interfaced with a high performance liquid chromatography (HPLC) system. Our data demonstrated that multiple P450s were involved in the detoxification of linear furanocoumarins in the cotton bollworm. These findings contribute to a better understanding of the biochemical basis of adaptation to plant defense chemicals in this economically important pest. Summary CYP9A12, CYP9A14, and CYP9A17 are capable of metabolizing psoralen and xanthotoxin. Epoxidation of the C2'−C3' double bond of the furano ring is the common pathway. The three CYP9A enzymes exhibit no detectable activity against angelicin and imperatorin.
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