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Zanthoxylum ailanthoides is a deciduous tree, with important medicinal and economic values. The complete chloroplast genome sequence of Z. ailanthoides was assembled and the phylogenetic relationship to other species was inferred in this study. The chloroplast genome is 157,209 bp in length, including two inverted repeats of 26,408 bp, a large single-copy of 86,099 bp and a small single copy of 18,294 bp. Moreover, the chloroplast genome contains 129 genes, including 84 protein-coding genes, 37 tRNA genes, and 8 rRNA genes. The overall GC content of the chloroplast genome is 38.4%. The phylogenetic analysis indicated that Z. ailanthoides was grouped with a clade containing the species of Z. multijugum, Z. calcicola, Z. oxyphyllum, Z. stenophyllum, and the genus was closely related to Phellodendron. This study contributes to a better understanding of the phylogenetic relationships among Zanthoxylum species. [ABSTRACT FROM AUTHOR]

Liupao tea is one of the well-known Chinese tea brands and a famous local specialty in Wuzhou, Guangxi, China. However, the genetic background and phylogenetic relationship of the native resource plants of Liupao tea need study, especially at the genomic level. In this study, we reported the complete chloroplast (cp) genome sequence of Camellia sinensis var. sinensis cultivar 'Liupao' (LP, Liupao tea population) and inferred its phylogenetic relationship to other tea plant variants or cultivars. The cp genome had a total length of 157,097 bp and the overall GC content was 37.3%. The cp genome contained one LSC region (86,641 bp) and one SSC region (18,276 bp), which were separated by two IR regions (26,090 bp, respectively). Moreover, the cp genomes were composed of 130 genes, including 86 protein-coding genes, 36 tRNA genes, and eight rRNA genes. The phylogenetic analysis showed that LP was closely related to C. sinensis var. pabilimba cv. 'Lingyunbaihao'. This study will provide useful information for further investigating the genetic background, evolution, and breeding of LP as well as other tea cultivars and varieties. [ABSTRACT FROM AUTHOR]

Chronic pain, along with comorbid psychiatric disorders, is a common problem worldwide. A growing number of studies have focused on non-opioid-based medicines, and billions of funds have been put into digging new analgesic mechanisms. Peripheral inflammation is one of the critical causes of chronic pain, and drugs with anti-inflammatory effects usually alleviate pain hypersensitivity. Sophoridine (SRI), one of the most abundant alkaloids in Chinese herbs, has been proved to exert antitumor, antivirus and anti-inflammation effects. Here, we evaluated the analgesic effect of SRI in an inflammatory pain mouse model induced by complete Freund's adjuvant (CFA) injection. SRI treatment significantly decreased pro-inflammatory factors release after LPS stimuli in microglia. Three days of SRI treatment relieved CFA-induced mechanical hypersensitivity and anxiety-like behavior, and recovered abnormal neuroplasticity in the anterior cingulate cortex of mice. Therefore, SRI may be a candidate compound for the treatment of chronic inflammatory pain and may serve as a structural basis for the development of new drugs. Graphical Abstract [ABSTRACT FROM AUTHOR]

Flemingia macrophylla (Willd.) Prain is an ethnomedicinal plant with high nutritional and medicinal values. In this study, we report the complete chloroplast genome of F. macrophylla. The chloroplast genome has a typical quadripartite structure with a genome size of 152,988 bp, including a large single-copy (LSC) of 83,634 bp, a small single-copy (SSC) of 17,774 bp and two inverted repeats (IRs) of 25,790 bp. The genome contains 129 genes, including 84 protein-coding, 37 tRNA and 8 rRNA genes. The overall GC content is 35.1%. Phylogenetic analysis showed that F. macrophylla grouped with a clade containing the genera of Fagelia, Dolichos, Eriosema, Dunbaria and Cajanus in Fabaceae. This study provides essential data and insight for understanding the phylogenetic placement of Flemingia. [ABSTRACT FROM AUTHOR]

A pair of new neo-clerodane diterpenoid epimers, 3S-methoxyl-teucvin (1) and 3R-methoxyl-teucvin (2), were isolated from the Roots of Croton crassifolius. Their structures were completely established on the basis of spectroscopic methods, and the absolute configurations were determined by analysis of electronic circular dichroism (ECD) spectroscopy and X-ray diffraction analysis. Compounds 1 and 2 exhibited anti-inflammatory activities with IC50 values of 0.82 and 0.54 μM, respectively, while the IC50 value of dexamethasone as a positive control was found to be 0.14 μM. [ABSTRACT FROM AUTHOR]

A new pheophytin, (132S, 17S, 18S)-132-hydroxy-20-chloro-ethylpheophorbide a (3), along with two known analogues (1-2) were isolated from the lichen Usnea diffracta Vainio (Parmeliaceae). Among them, compound 3 was a rare C-20-chloro type pheophytin obtained from lichens. Their structures were elucidated by extensive spectroscopic analysis, and all the compounds were obtained for the first time from U. diffracta. Compounds (1-3) were evaluated for their xanthine oxidase (XO) inhibitory activities in vitro, and the results showed that 1-3 possessed significant enzyme inhibitory actions with IC50 values of 46.9 ± 3.8, 75.9 ± 7.4 and 42.1 ± 1.7 μg/mL, respectively. [ABSTRACT FROM AUTHOR]

Acute lymphoblastic leukemia (ALL) is characterized by the accumulation of abnormal lymphoblasts in the bone marrow and blood. Though great progress has been made for improvement in clinical treatment during the past decades, some children with ALL still relapsed. Glucocorticoid (GC) resistance is an important clinical problem for ALL treatment failure. Therefore, further understanding of the mechanism of GC resistance and exploring novel therapeutic strategies are crucial for improving treatment outcome. The reported involvement of microRNAs (miRNAs) in drug resistance implied that deregulated miRNA expression might contribute to GC treatment response of ALL. However, individual miRNAs and their functional mechanisms potentially involved in the GC response are still largely unknown. In the present study, we found that miR-124 was up-regulated in prednisone insensitive human ALL cell line and prednisone-poor response ALL patients. Furthermore, it was found that miR-124 might contribute to GC resistance by promoting proliferation and inhibiting apoptosis of ALL cells. Importantly, we validated that miR-124, targeted and decreased the expression of glucocorticoid receptor (NR3C1), prevented the inhibitory effect of GC in ALL. These findings strongly suggest that miR-124 is critical in poor GC response and may serve as a potential therapeutic target in ALL with poor GC resistance. [ABSTRACT FROM AUTHOR]

To assess the role of the lateral triazine group of 2,6-bis(1,2,4-triazin-3-yl) pyridine (BTP) when coordinated to Am(iii), three tridentate N-donor ligands, i.e. BTP, 6-(-2-pyridyl)-2-pyridyl (hemi-BTP), and 2,2′:6′2′′-terpyridine (TPY), have been used to construct coordination complexes with Am(iii), and the structures and binding modes of these complexes have been investigated using the B3LYP functional. The 1 : 1 and 1 : 2 (metal : ligand) type complexes, based on our calculations, form mainly via reactions Am(H2O)3(NO3)3 + L → AmL(NO3)3 + 3H2O and [Am(H2O)6(NO3)2]+ + 2L → [AmL2(NO3)2]+ + 6H2O. The Gibbs free energy changes were in the order of TPY ＞ hemi-BTP ＞ BTP, independent of the presence of nitrate ions in the complexes. We show that in 1 : 1 type complexes substitution of electron-donating groups to the three ligands can enhance their binding ability. From analysis of NPA charge and Mayer Bond Order, it is found that the value of binding free energy is correlated with charge transfers between the central metal and the ligand: the larger the ligand-to-metal charge transfer, the more negative the binding energy, and meanwhile, the smaller the Mayer bond order of the Am–N bonds. This suggests that the interaction between Am(iii) and the tridentate ligands has a strong ionic feature, which is confirmed by the quantum theory of atoms-in-molecules (QTAIM) topological analysis. According to our calculations, the presence of the triazine group in BTP and hemi-BTP does not improve the binding affinity of the ligand to Am(iii), compared to TPY, but facilitates the ligand to adopt a conformation that favors to coordinate with Am3+ than others via a dynamic isomerization process, and the electron-donating groups on the triazine group may enhance the charge transfer between Am(iii) and the ligand, and thus stabilize the complex. We tentatively propose that the facile conversion between the conformations of BTP, which is more difficult for TPY and hemi-BTP, may significantly contribute to its higher affinity towards binding with Am(iii). [ABSTRACT FROM AUTHOR]

Low-lying states of Ga2P and Ga2As are investigated with the equation-of-motion coupled-cluster approach for ionized states at the singles and doubles level (EOMIP-CCSD) as well as at the CCSDT-3 level together with CCSD, CCSD(T), and DFT. Except for the asymmetric stretching b2 mode of the 2B2 and 2A1 states, all these approaches provide structures, frequencies and adiabatic electron affinities that are in reasonable agreement with each other. According to our results, the lowest-energy state of these two molecules is the 2A′ state of Cs symmetry and the 2B2 state is the ground electronic state with C2v symmetry. As for the b2 mode, CCSD and CCSD(T) afford real frequencies for the 2B2 state, while EOM approaches and DFT with most exchange–correlation functionals give rise to imaginary frequencies. The 2B2 and 2A1 states couple with each other due to distortion along b2 mode through the pseudo-Jahn–Teller effect. Analysis on results shows that EOM approaches afford reasonable b2 frequencies for the two states and DFT approaches, except for BP86 and PBE, provide qualitatively correct b2 frequencies for the 2B2 state. In addition, a potential matrix is introduced to describe the vibronic coupling between the 2B2 and 2A1 states and parameters in the matrix are fitted to the adiabatic potential curves from EOMIP-CCSD results. [ABSTRACT FROM AUTHOR]

In this work, the equation-of-motion coupled-cluster approach with spin-orbit coupling (SOC) for ionization potentials (IP) at the singles and doubles level (EOMIP-CCSD) is employed to calculate spectroscopic constants of low-lying states of rare gas dimer ions Kr2+, Xe2+, and Rn2+. Two approaches are proposed to include contributions of triples: (1) energies of these states are calculated by adding the IPs from EOMIP-CCSD and the CCSD(T) energy of the rare gas dimers and (2) CCSD(T) energies without SOC for Rg2+ are first calculated and energies of these states with SOC are determined subsequently using the SOC matrix between these states. The first approach can provide accurate results for the three most stable states, while overestimates bond lengths for the other states. The second approach has been adopted previously and the SOC matrix element between 2Σ1/2+ and 2Π1/2 states was set to be [formula] times that of the SOC constant. In our work, the SOC matrix elements are determined from the calculated IPs and reasonable results for these states can be achieved with this approach, which could be useful for experimental works. [ABSTRACT FROM AUTHOR]

Indigo naturalis (IN) is a traditional Chinese medicine, named Qing-Dai, which is extracted from indigo plants and has been used to treat patients with inflammatory bowel disease (IBD) in China and Japan. Though there are notable effects of IN on colitis, the mechanisms remain elusive. Regarding the significance of alterations of intestinal flora related to IBD and the poor water solubility of the blue IN powder, we predicted that the protective action of IN on colitis may occur through modifying gut microbiota. To investigate the relationships of IN, colitis, and gut microbiomes, a dextran sulfate sodium (DSS)-induced mice colitis model was tested to explore the protective effects of IN on macroscopic colitis symptoms, the histopathological structure, inflammation cytokines, and gut microbiota, and their potential functions. Sulfasalazine (SASP) was used as the positive control. Firstly, because it was a mixture, the main chemical compositions of indigo and indirubin in IN were detected by ultra-performance liquid chromatography (UPLC). The clinical activity score (CAS), hematoxylin and eosin (H&E) staining results, and enzyme-linked immunosorbent assay (ELISA) results in this study showed that IN greatly improved the health conditions of the tested colitis mice, ameliorated the histopathological structure of the colon tissue, down-regulated pro-inflammatory cytokines, and up-regulated anti-inflammatory cytokines. The results of 16S rDNA sequences analysis with the Illumina MiSeq platform showed that IN could modulate the balance of gut microbiota, especially by down-regulating the relative quantity of Turicibacter and up-regulating the relative quantity of Peptococcus. The therapeutic effect of IN may be closely related to the anaerobic gram-positive bacteria of Turicibacter and Peptococcus. The inferred metagenomes from 16S data using PICRUSt demonstrated that decreased metabolic genes, such as through biosynthesis of siderophore group nonribosomal peptides, non-homologous end-joining, and glycosphingolipid biosynthesis of lacto and neolacto series, may maintain microbiota homeostasis during inflammation from IN treatment in DSS-induced colitis. [ABSTRACT FROM AUTHOR]

Inflammatory bowel disease (IBD) is a notable health problem and may considerably affect the quality of human life. Previously, the protective roles of tryptanthrin (TRYP) against dextran sulfate sodium (DSS) induced colitis has been proved, but the concrete mechanism remained elusive. It has been suggested that TRYP could diminish the weight loss and improve the health conditions of mice with DSS induced colitis. Hematoxylin and eosin staining revealed that TRYP could improve the histopathological structure of the colon tissue. Two signaling pathways (TNF-α/NF-κBp65 and IL-6/STAT3) were investigated using immunochemistry and western blot. The detected concentrations of the two cytokines TNF-α and IL-6 showed that their levels decreased after TRYP treatment of the colitis. The protein expression level of NF-κBp65 in cytoplasm increased after TRYP treatment of the induced colitis. However, the protein level of NF-κBp65 in the nucleus decreased after administration of TRYP. The expression level of IκBα, the inhibitory protein of NF-κBp65, was tested and the results suggested that TRYP could inhibit the degradation of IκBα. The phosphorylation level of STAT3 was inhibited by TRYP and the expression level of STAT3 and p-STAT3 decreased after administration of TRYP. We conclude that TRYP improves the health condition of mice with DSS induced colitis by regulating the TNF-α/NF-κBp65 and IL-6/STAT3 signaling pathways via inhibiting the degradation of IκBα and the phosphorylation of STAT3. [ABSTRACT FROM AUTHOR]

Abstract Gracilistones A (1) and B (2), two new eudesmane-type sesquiterpenoids with an unusual tetrahydrofuran-fused 6/6/5 tricyclic ring system, were obtained from Acanthopanax gracilistylus under the guidance of LC-MS investigation. Their structures and absolute configurations were assigned by extensive spectroscopic analyses and quantum calculation methods. Compounds 1 and 2 showed potent inhibitory activity against LPS-induced nitric oxide production in RAW 264.7 macrophages, compared with the positive control L-NMMA. In addition, compounds 1 and 2 were also evaluated for their antioxidant (DPPH• and ABTS•+) and xanthine oxidase (XO) inhibitory activities, and they exhibited weak inhibitory effects at 100 μM. Graphical abstract Unlabelled Image [ABSTRACT FROM AUTHOR]

Ethnopharmacological relevance Ligularia przewalskii (Maxim.) Diels ( LP ) (called zhangyetuowu in Chinese), is generally found in moist forest areas in the western regions of China. The root, leaves and flower of LP are utilized as a common traditional medicine in China. It has been utilized conventionally in herbal remedies for the remedy of haemoptysis, asthma, pulmonary phthisis, jaundice hepatitis, food poisoning, bronchitis, cough, fever, wound healing, measles, carbuncle, swelling and phlegm diseases. Aim of the study The review aims to provide a systematic summary of LP and to reveal the correlation between the traditional uses and pharmacological activities in order to provide updated, comprehensive and categorized information and identify the therapeutic potential for its use as a new medicine. Materials and methods The relevant data were searched by using the keywords “ Ligularia przewalskii ” “phytochemistry”, “pharmacology”, “Traditional uses”, and “Toxicity” in “Scopus”, “Scifinder”, “Springer”, “Pubmed”, “Wiley”, “Web of Science”, “China Knowledge Resource Integrated databases (CNKI)”, “Ph.D.” and “M.Sc. dissertations”, and a hand-search was done to acquire peer-reviewed articles and reports about LP . The plant taxonomy was validated by the databases “The Plant List”, “Flora Reipublicae Popularis Sinicae”, “A Collection of Qinghai Economic Plants”, “Inner Mongolia plant medicine Chi”, Zhonghua-bencao and the Standard of Chinese herbal medicine in Gansu. Results Based on the traditional uses, the chemical nature and biological effects of LP have been the focus of research. In modern research, approximately seventy-six secondary metabolites, including thirty-eight terpenoids, nine benzofuran derivatives, seven flavonoids, ten sterols and others, were isolated from this plant. They exhibit anti-inflammatory, antioxidative, anti-bacterial and anti-tumour effects, and so on. Currently, there is no report on the toxicity of LP , but hepatotoxic pyrrolizidine alkaloids (HPA) were first detected with LC/MS n in LP , and they have potential hepatotoxicity. Conclusions The lung-moistening, cough-relieving and phlegm-resolving actions of the root of LP are attributed to the anti-inflammatory properties of flavonoids and terpenoids. The heat-clearing, dampness-removing and gallbladder-normalizing (to cure jaundice) actions of the flowers of LP are based on the anti-inflammatory, antioxidant and hepatoprotective activity properties of terpenoids, flavonoids and sterols. The Traditional Chinese Medicine (TCM) characteristics of LP (bitter flavour) corroborate its potent anti-inflammatory effects. In addition, the remarkable anti-inflammatory and antioxidant capacities of LP contribute to its anti-tumour and antitussive activities. Many conventional uses of LP have now been validated by modernized pharmacological research. For future research, further phytochemical and biological studies need to be conducted on LP, In particular, the safety, mechanism of action and efficacy of LP could be of future research interest before beginning clinical trials. More in vivo experiments and clinical studies are encouraged to further clarify the relation between traditional uses and modern applications. Regarding the roots, leaves and flowers of LP , their chemical compositions and clinical effects should be compared. The information on LP will be helpful in providing and identifying its therapeutic potential and economic value for its use as a new medicine in the future. [ABSTRACT FROM AUTHOR]

Zanthoxylum ailanthoides is a deciduous tree, with important medicinal and economic values. The complete chloroplast genome sequence of Z. ailanthoides was assembled and the phylogenetic relationship to other species was inferred in this study. The chloroplast genome is 157,209 bp in length, including two inverted repeats of 26,408 bp, a large single-copy of 86,099 bp and a small single copy of 18,294 bp. Moreover, the chloroplast genome contains 129 genes, including 84 protein-coding genes, 37 tRNA genes, and 8 rRNA genes. The overall GC content of the chloroplast genome is 38.4%. The phylogenetic analysis indicated that Z. ailanthoides was grouped with a clade containing the species of Z. multijugum , Z. calcicola , Z. oxyphyllum , Z. stenophyllum , and the genus was closely related to Phellodendron . This study contributes to a better understanding of the phylogenetic relationships among Zanthoxylum species., Competing Interests: No potential conflict of interest was declared by the authors., (© 2024 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.)

Liupao tea is one of the well-known Chinese tea brands and a famous local specialty in Wuzhou, Guangxi, China. However, the genetic background and phylogenetic relationship of the native resource plants of Liupao tea need study, especially at the genomic level. In this study, we reported the complete chloroplast (cp) genome sequence of Camellia sinensis var. sinensis cultivar 'Liupao' (LP, Liupao tea population) and inferred its phylogenetic relationship to other tea plant variants or cultivars. The cp genome had a total length of 157,097 bp and the overall GC content was 37.3%. The cp genome contained one LSC region (86,641 bp) and one SSC region (18,276 bp), which were separated by two IR regions (26,090 bp, respectively). Moreover, the cp genomes were composed of 130 genes, including 86 protein-coding genes, 36 tRNA genes, and eight rRNA genes. The phylogenetic analysis showed that LP was closely related to C. sinensis var. pabilimba cv. 'Lingyunbaihao'. This study will provide useful information for further investigating the genetic background, evolution, and breeding of LP as well as other tea cultivars and varieties., Competing Interests: No potential conflict of interest was reported by the author(s)., (© 2023 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.)

Objective: Two classes of spiro[4 H -pyran-3,3'-oxindole] derivatives were prepared via the one pot reaction of chain diketones (1-phenyl-1,3-butanedione or dibenzoyl methane), substituted isatins and malononitrile successfully catalyzed by a Tröger's base derivative 1b (5,12-dimethyl-3,10-diphenyl-bis-1 H -pyrazol [b,f ][4,5]-1,5-diazadicyclo[3.3.1]-2,6-octadiene). The antibacterial activity of products against three wild-type bacteria ( B. subtilis, S. aureus , and E. coli) and two resistant strains (Methicillin-resistant S. aureus (18H 8 ) and E. coli carrying the BlaNDM-1 gene (18H 5 )) was evaluated using the minimum inhibitory concentration (MIC).., Methods: 1-Phenyl-1,3-butanedione 2 or dibenzoylmethane 2' (0.42 mmol), substituted isatin 3 (0.4 mmol), malononitrile 4 (0.8 mmol), Tröger's base derivative 1b (0.08 mmol), and 10 mL of acetonitrile were added to a 50 mL round bottom flask and refluxed. After the completion (TLC monitoring), water (10 mL) was added to the reaction mixture; pH = 7 was adjusted with saturated NaHCO 3 (aq.), and the mixture was extracted with CH 2 Cl 2 (50 mL × 3). Organic layers were combined and dried with anhydrous Na 2 SO 4 ; the solvent was removed under vacuum, and the residue was purified by column chromatography (V DCM : V MeOH = 80: 1) to afford product 5. The antibacterial activity was tested by the MTT method., Results: Seventeen spiro[4 H -pyran-3,3'-oxindole] derivatives were synthesized through the reaction of chain diketones (1-phenyl-1,3-butanedione or dibenzoyl methane), substituted isatins, and malononitrile in one-pot in medium to high yields. Four compounds showed antibacterial activity, and two of them showed the same activity as the positive control Ceftazidime on S. aureus (MIC = 12.5 μg/mL)., Conclusion: Two classes of spiro[4 H -pyran-3,3'-oxindole] derivatives were prepared, and their antibacterial activity was evaluated. Tröger's base derivative 1b (5,12-dimethyl-3,10-diphenyl-bis-1 H -pyrazol[ b,f ][4,5]- 1,5-diazadicyclo[3,3,1]-2,6-octadiene) was used as an efficient organocatalyst for the reaction of low reactive chain diketones (1-phenyl-1,3-butanedione or dibenzoyl methane), substituted isatins, and malononitrile in one-pot successfully and effectively by providing multiple active sites and alkaline environment. By the theoretical calculation, we explained the possible reaction sequence and mechanism. Due to the superiority and high efficiency of the TB framework as an organocatalyst, the reaction showed many advantages, including mild reaction conditions, low catalyst loading, and a wide substrate range. It expanded the application of Tröger's base to the multicomponent reaction in organocatalysis. Some products were screened due to their high antibacterial activity in vitro , showing their potential in new antibacterial drug development., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Flemingia macrophylla (Willd.) Prain is an ethnomedicinal plant with high nutritional and medicinal values. In this study, we report the complete chloroplast genome of F. macrophylla . The chloroplast genome has a typical quadripartite structure with a genome size of 152,988 bp, including a large single-copy (LSC) of 83,634 bp, a small single-copy (SSC) of 17,774 bp and two inverted repeats (IRs) of 25,790 bp. The genome contains 129 genes, including 84 protein-coding, 37 tRNA and 8 rRNA genes. The overall GC content is 35.1%. Phylogenetic analysis showed that F. macrophylla grouped with a clade containing the genera of Fagelia , Dolichos , Eriosema , Dunbaria and Cajanus in Fabaceae. This study provides essential data and insight for understanding the phylogenetic placement of Flemingia ., Competing Interests: No potential conflict of interest was reported by the author(s)., (© 2021 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis Group.)

An enantiomeric pair of rare cyperane-type sesquiterpenoids, (+)- and (-)-gracilistones C ( 1a , 1b ), together with a novel norsesquiterpenoid, gracilistone D ( 2 ), bearing a bicyclic lactone system were isolated from the root bark of Acanthopanax gracilistylus using LC-MS-IT-TOF analyses. The structures and absolute configurations of 1a , 1b , and 2 were elucidated by 1D and 2D NMR spectroscopy, X-ray diffraction, and ECD spectroscopic methods. Intermediate 1b suggests a possible biosynthesis process involving compound 2 . The bioassay results showed that compounds 1a , 1b , and 2 exhibited significant inhibitory effects against lipopolysaccharide-induced nitric oxide production in RAW 264.7 cells, with IC 50 values of 7.7 ± 0.6, 6.8 ± 1.5, and 2.6 ± 0.4 μM, respectively. Additional docking analyses provided some perspective of this activity in human inducible nitric oxide synthase.

Portulacae Oleracea L. (POL) is a traditional Chinese medicine and also an edible vegetable used to treat diarrhea in china for thousands years. Though the therapeutic effect has been proved in clinical trials, the concrete effective component and mechanisms remained elusive. Polysaccharide from POL has been extracted previously and the experiment suggested that POLP could diminish the weight loss and improve the health conditions of mice with DSS induced colitis. Hematoxylin & eosin staining revealed that POLP could improve the histopathological structure of the colon tissue. For the notably variation curve of TNF-α in control, colitis and treatment group, NF-κB was enrolled to investigate the molecular mechanisms of the protective effect of POLP. The protein expression level of NF-κBp65 in cytoplasm increased after POLP treatment of the induced colitis. However, the protein level of NF-κBp65 in the nucleus decreased after administration of POLP. The expression levels of IκBα and NF-κB related proteins Bcl-2 and survivin were also detected and the results suggested that POLP could inhibit the degradation of IκBα and decrease the protein levels of Bcl-2 and Survivin in colitis. It was concluded that POLP could improve the health condition of mice with DSS induced colitis and the mechanisms were closely related with NF-κB via inhibiting the degradation of IκBα., Competing Interests: None.

A new pheophytin, (13 2 S, 17S, 18S)-13 2 -hydroxy-20-chloro-ethylpheophorbide a (3), along with two known analogues (1-2) were isolated from the lichen Usnea diffracta Vainio (Parmeliaceae). Among them, compound 3 was a rare C-20-chloro type pheophytin obtained from lichens. Their structures were elucidated by extensive spectroscopic analysis, and all the compounds were obtained for the first time from U. diffracta. Compounds (1-3) were evaluated for their xanthine oxidase (XO) inhibitory activities in vitro, and the results showed that 1-3 possessed significant enzyme inhibitory actions with IC 50 values of 46.9 ± 3.8, 75.9 ± 7.4 and 42.1 ± 1.7 μg/mL, respectively.

Cordycepin is an active component of the traditional Chinese medicine Cordyceps sinensis and Cordyceps militaris with notable anticancer activity. Though the prominent inhibitory activity was reported in different kinds of cancer cell lines, the concrete mechanisms remain elusive. It was reported that cordycepin could be converted into tri-phosphates in vivo to confuse a number of enzymes and interfere the normal cell function. For the inhibitory mechanism of EGFR inhibitors and the structure similarity of ATP and tri-phosphated cordycepin, human lung cancer cell line H1975 was employed to investigate the inhibitory effect of cordycepin. The results showed that cordycepin could inhibit cell proliferation and induce apoptosis in a dose-dependent manner. Cell cycle analysis revealed that H1975 cells could be arrested at the G₀/G₁ phase after cordycepin treatment. The expression levels of apoptosis-related protein Caspase-3 and Bcl-2 and phosphorylated expression levels of EGFR, AKT and ERK1/2 were all decreased compared with the control group stimulated with EGF. However, the protein expression levels of proapoptotic protein Bax and cleaved caspase-3 were increased. These results implied that cordycepin could inhibit cell proliferation and induce apoptosis via the EGFR signaling pathway. Our results indicated that there was potential to seek a novel EGFR inhibitor from cordycepin and its chemical derivatives.

Acute lymphoblastic leukemia (ALL) is a common hematological malignancy characterized by the uncontrolled proliferation of leukemia cells in children. Discovering and developing effective chemotherapeutic drugs are needed for ALL. In this study, we investigated the anti-leukemic activity of butein and its action mechanisms in ALL. Butein was found to significantly suppress the cellular proliferation of ALL cell lines and primary ALL blasts in a dose-dependent manner. It also induced cell cycle arrest by decreasing the expression of cyclin E and CDK2. We also found that butein promoted nuclear Forkhead Class box O3a (FOXO3a) localization, enhanced the binding of FOXO3a on the p27kip1 gene promoter and then increased the expression of p27kip1. Moreover, we showed that FOXO3a knockdown significantly decreased the proliferation inhibition by butein, whereas overexpression of FOXO3a enhanced the butein-mediated proliferation inhibition. However, overexpression of FOXO3a mutation (C-terminally truncated FOXO3a DNA-binding domain) decreased the proliferation inhibition by butein through decreasing the expression of p27kip1. Our results therefore demonstrate the therapeutic potential of butein for ALL via FOXO3a/p27kip1 pathway.

Low-lying states of Ga2P and Ga2As are investigated with the equation-of-motion coupled-cluster approach for ionized states at the singles and doubles level (EOMIP-CCSD) as well as at the CCSDT-3 level together with CCSD, CCSD(T), and DFT. Except for the asymmetric stretching b2 mode of the (2)B2 and (2)A1 states, all these approaches provide structures, frequencies and adiabatic electron affinities that are in reasonable agreement with each other. According to our results, the lowest-energy state of these two molecules is the (2)A' state of C(s) symmetry and the (2)B2 state is the ground electronic state with C(2v) symmetry. As for the b2 mode, CCSD and CCSD(T) afford real frequencies for the (2)B2 state, while EOM approaches and DFT with most exchange-correlation functionals give rise to imaginary frequencies. The (2)B2 and (2)A1 states couple with each other due to distortion along b2 mode through the pseudo-Jahn-Teller effect. Analysis on results shows that EOM approaches afford reasonable b2 frequencies for the two states and DFT approaches, except for BP86 and PBE, provide qualitatively correct b2 frequencies for the (2)B2 state. In addition, a potential matrix is introduced to describe the vibronic coupling between the (2)B2 and (2)A1 states and parameters in the matrix are fitted to the adiabatic potential curves from EOMIP-CCSD results.

To provide insight on the reaction mechanism of the methyperoxy (CH(3)O(2)•) self-reaction, stationary points on both the spin-singlet and the spin-triplet potential energy surfaces of 2(CH(3)O(2)•) have been searched at the B3LYP/6-311++G(2df,2p) level. The relative energies, enthalpies, and free energies of these stationary points are calculated using CCSD(T)/cc-pVTZ. Our theoretical results indicate that reactions on a spin-triplet potential energy surface are kinetically unfavorable due to high free energy barriers, while they are more complicated on the spin-singlet surface. CH(3)OOCH(3) + O(2)(1) can be produced directly from 2(CH(3)O(2)•), while in other channels, three spin-singlet chain-structure intermediates are first formed and subsequently dissociated to produce different products. Besides the dominant channels producing 2CH(3)O• + O(2) and CH(3)OH + CH(2)O + O(2) as determined before, the channels leading to CH(3)OOOH + CH(2)O and CH(3)O• + CH(2)O + HO(2)• are also energetically favorable in the self-reaction of CH(3)O(2)• especially at low temperature according to our results.