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1.
BMC Plant Biol ; 24(1): 647, 2024 Jul 08.
Artículo en Inglés | MEDLINE | ID: mdl-38977968

RESUMEN

BACKGROUND: The ginseng endophyte Paenibacillus polymyxa Pp-7250 (Pp-7250) has multifaceted roles such as preventing ginseng diseases, promoting growth, increasing ginsenoside accumulation, and degrading pesticide residues, however, these effects still have room for improvements. Composite fungicides are an effective means to improve the biocontrol effect of fungicides, but the effect of Pp-7250 in combination with its symbiotic bacteria on ginseng needs to be further investigated, and its mechanism of action has not been elucidated. In this study, a series of experiments was conducted to elucidate the effect of Paenibacillus polymyxa and Bacillus cereus co-bacterial agent on the yield and quality of understory ginseng, and to investigate their mechanism of action. RESULTS: The results indicated that P. polymyxa and B. cereus co-bacterial agent (PB) treatment improved ginseng yield, ginsenoside accumulation, disease prevention, and pesticide degradation. The mechanism is that PB treatment increased the abundance of beneficial microorganisms, including Rhodanobacter, Pseudolabrys, Gemmatimonas, Bacillus, Paenibacillus, Cortinarius, Russula, Paecilomyces, and Trechispora, and decreased the abundance of pathogenic microorganisms, including Ellin6067, Acidibacter, Fusarium, Tetracladium, Alternaria, and Ilyonectria in ginseng rhizosphere soil. PB co-bacterial agents enhanced the function of microbial metabolic pathways, biosynthesis of secondary metabolites, biosynthesis of antibiotics, biosynthesis of amino acids, carbon fixation pathways in prokaryotes, DNA replication, and terpenoid backbone biosynthesis, and decreased the function of microbial plant pathogens and animal pathogens. CONCLUSION: The combination of P. polymyxa and B. cereus may be a potential biocontrol agent to promote the resistance of ginseng to disease and improve the yield, quality, and pesticide degradation.


Asunto(s)
Ginsenósidos , Paenibacillus polymyxa , Panax , Enfermedades de las Plantas , Rizosfera , Panax/microbiología , Panax/crecimiento & desarrollo , Panax/efectos de los fármacos , Enfermedades de las Plantas/microbiología , Enfermedades de las Plantas/prevención & control , Bacillus cereus/efectos de los fármacos , Bacillus cereus/crecimiento & desarrollo , Microbiología del Suelo , Endófitos/fisiología , Endófitos/efectos de los fármacos , Microbiota/efectos de los fármacos
2.
Int J Mol Sci ; 25(13)2024 Jun 25.
Artículo en Inglés | MEDLINE | ID: mdl-39000057

RESUMEN

Toxoplasma gondii, an important opportunistic pathogen, underscores the necessity of developing novel therapeutic drugs and identifying new drug targets. Our findings indicate that the half-maximal inhibitory concentrations (IC50) of KU60019 and CP466722 (abbreviated as KU and CP) against T. gondii are 0.522 µM and 0.702 µM, respectively, with selection indices (SI) of 68 and 10. Treatment with KU and CP affects the in vitro growth of T. gondii, inducing aberrant division in the daughter parasites. Transmission electron microscopy reveals that KU and CP prompt the anomalous division of T. gondii, accompanied by cellular enlargement, nuclear shrinkage, and an increased dense granule density, suggesting potential damage to parasite vesicle transport. Subsequent investigations unveil their ability to modulate the expression of certain secreted proteins and FAS II (type II fatty acid synthesis) in T. gondii, as well as including the dot-like aggregation of the autophagy-related protein ATG8 (autophagy-related protein 8), thereby expediting programmed death. Leveraging DARTS (drug affinity responsive target stability) in conjunction with 4D-Label-free quantitative proteomics technology, we identified seven target proteins binding to KU, implicated in pivotal biological processes such as the fatty acid metabolism, mitochondrial ATP transmission, microtubule formation, and Golgi proteins transport in T. gondii. Molecular docking predicts their good binding affinity. Furthermore, KU has a slight protective effect on mice infected with T. gondii. Elucidating the function of those target proteins and their mechanism of action with ATM kinase inhibitors may potentially enhance the treatment paradigm for toxoplasmosis.


Asunto(s)
Proteínas de la Ataxia Telangiectasia Mutada , Inhibidores de Proteínas Quinasas , Toxoplasma , Toxoplasma/efectos de los fármacos , Toxoplasma/enzimología , Animales , Ratones , Proteínas de la Ataxia Telangiectasia Mutada/metabolismo , Proteínas de la Ataxia Telangiectasia Mutada/antagonistas & inhibidores , Inhibidores de Proteínas Quinasas/farmacología , Inhibidores de Proteínas Quinasas/química , Toxoplasmosis/tratamiento farmacológico , Toxoplasmosis/parasitología , Humanos , Proteínas Protozoarias/metabolismo , Proteínas Protozoarias/antagonistas & inhibidores , Femenino
3.
J Math Biol ; 89(3): 30, 2024 Jul 17.
Artículo en Inglés | MEDLINE | ID: mdl-39017723

RESUMEN

To describe the transmission dynamics of maize streak virus infection, in the paper, we first formulate a stochastic maize streak virus infection model, in which the stochastic fluctuations are depicted by a logarithmic Ornstein-Uhlenbeck process. This approach is reasonable to simulate the random impacts of main parameters both from the biological significance and the mathematical perspective. Then we investigate the detailed dynamics of the stochastic system, including the existence and uniqueness of the global solution, the existence of a stationary distribution, the exponential extinction of the infected maize and infected leafhopper vector. Especially, by solving the five-dimensional algebraic equations corresponding to the stochastic system, we obtain the specific expression of the probability density function near the quasi-endemic equilibrium of the stochastic system, which provides valuable insights into the stationary distribution. Finally, the model is discretized using the Milstein higher-order numerical method to illustrate our theoretical results numerically. Our findings provide a groundwork for better methods of preventing the spread of this type of virus.


Asunto(s)
Virus de la Veta de Maíz , Conceptos Matemáticos , Modelos Biológicos , Enfermedades de las Plantas , Procesos Estocásticos , Zea mays , Enfermedades de las Plantas/virología , Enfermedades de las Plantas/estadística & datos numéricos , Zea mays/virología , Animales , Virus de la Veta de Maíz/fisiología , Simulación por Computador , Insectos Vectores/virología , Epidemias/estadística & datos numéricos , Hemípteros/virología
4.
Transl Cancer Res ; 13(5): 2475-2496, 2024 May 31.
Artículo en Inglés | MEDLINE | ID: mdl-38881933

RESUMEN

Background: Tumors emerge by acquiring a number of mutations over time. The first mutation provides a selective growth advantage compared to adjacent epithelial cells, allowing the cell to create a clone that can outgrow the cells that surround it. Subsequent mutations determine the risk of the tumor progressing to metastatic cancer. Some secondary mutations may inhibit the aggressiveness of the tumor while still increasing the survival of the clone. Meaningful mutations in genes may provide a strong molecular foundation for developing novel therapeutic strategies for cancer. Methods: The somatic mutation and prognosis in colon adenocarcinoma (COAD) were analyzed. The copy number variation (CNV) and differentially expressed genes (DEGs) between the collagen type VI alpha 6 chain (COL6A6) mutation (COL6A6-MUT) and the COL6A6 wild-type (COL6A6-WT) subgroups were evaluated. The independent prognostic signatures based on COL6A6-allelic state were determined to construct a Cox model. The biological characteristics and the immune microenvironment between the two risk groups were compared. Results: COL6A6 was found to be highly mutated in COAD at a frequency of 9%. Patients with COL6A6-MUT had a good overall survival (OS) compared to those with COL6A6-WT, who had a different CNV pattern. Significant differences in gene expression were established for 593 genes between the COL6A6-MUT and COL6A6-WT samples. Among them, MUC16, ASNSP1, PRR18, PEG10, and RPL26P8 were determined to be independent prognostic factors. The internally validated prognostic risk model, constructed using these five genes, demonstrated its value by revealing a significant difference in patient prognosis between the high-risk and low-risk groups. Specifically, patients in the high-risk group exhibited a considerably worse prognosis than did those in the low-risk group. The high-risk group had a significantly higher proportion of patients over 60 years of age and patients in stage III. Moreover, the tumor immune dysfunction and exclusion (TIDE) score and the expression of human leukocyte antigen (HLA) family genes were all higher in the high-risk group than that in the low-risk group. Conclusions: The allelic state of COL6A6 and the five associated DEGs were identified as novel biomarkers for the diagnosis and prognosis of COAD and may be therapeutic targets in COAD.

5.
Ren Fail ; 46(2): 2363589, 2024 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-38874093

RESUMEN

PURPOSE: To investigate the dietary nutrient intake of Maintenance hemodialysis (MHD) patients, identify influencing factors, and explore the correlation between dietary nutrient intake and nutritional and disease control indicators. METHODS: This was a multicenter cross-sectional study. A dietary survey was conducted using a three-day dietary record method, and a self-designed diet management software was utilized to calculate the daily intake of dietary nutrients. The nutritional status and disease control indicators were assessed using subjective global assessment, handgrip strength, blood test indexes, and dialysis adequacy. RESULTS: A total of 382 MHD patients were included in this study. Among them, 225 (58.9%) and 233 (61.0%) patients' protein and energy intake did not meet the recommendations outlined in the National Kidney Foundation's Kidney Disease Outcomes Quality Initiative Clinical Practice Guideline for Nutrition in Chronic Kidney Disease (2020 update). The average protein and energy intake for these patients were 0.99 ± 0.32 g/kg/d and 29.06 ± 7.79 kcal/kg/d, respectively. Multiple linear regression analysis showed that comorbidity-diabetes had a negative influence on normalized daily energy intake (nDEI = DEI / ideal body weight) (B = -2.880, p = 0.001) and normalized daily protein intake (nDPI = DPI / ideal body weight) (B = -0.109, p = 0.001). Pearson correlation analysis revealed that dietary DPI (r = -0.109, p < 0.05), DEI (r = -0.226, p < 0.05) and phosphorus (r = -0.195, p < 0.001) intake were statistically correlated to Kt/V; dietary nDPI (r = 0.101, p < 0.05) and sodium (r = -0.144, p < 0.001) intake were statistically correlated to serum urea nitrogen; dietary DPI (r = 0.200, p < 0.001), DEI (r = 0.241, p < 0.001), potassium (r = 0.129, p < 0.05), phosphorus (r = 0.199, p < 0.001), and fiber (r = 0.157, p < 0.001) intake were statistically correlated to serum creatinine; dietary phosphorus (r = 0.117, p < 0.05) and fiber (r = 0.142, p < 0.001) intake were statistically correlated to serum phosphorus; dietary nDPI (r = 0.125, p < 0.05), DPI (r = 0.135, p < 0.05), nDEI (r = 0.116, p < 0.05), DEI (r = 0.125, p < 0.05), potassium (r = 0.148, p < 0.001), and phosphorus (r = 0.156, p < 0.001) intake were statistically correlated to subjective global assessment scores; dietary nDPI (r = 0.215, p < 0.001), DPI (r = 0.341, p < 0.001), nDEI (r = 0.142, p < 0.05), DEI (r = 0.241, p < 0.001), potassium (r = 0.166, p < 0.05), phosphorus (r = 0.258, p < 0.001), and fiber (r = 0.252, p < 0.001) intake were statistically correlated to handgrip strength in males; dietary fiber (r = 0.190, p < 0.05) intake was statistically correlated to handgrip strength in females. CONCLUSIONS: The dietary nutrient intake of MHD patients need improvement. Inadequate dietary nutrient intake among MHD patients could have a detrimental effect on their blood test indexes and overall nutritional status. It is crucial to address and optimize the dietary intake of nutrients in this patient population to enhance their health outcomes and well-being.


Asunto(s)
Ingestión de Energía , Estado Nutricional , Diálisis Renal , Humanos , Estudios Transversales , Masculino , Femenino , Persona de Mediana Edad , Anciano , Proteínas en la Dieta/administración & dosificación , Adulto , Modelos Lineales , Fallo Renal Crónico/terapia , Fallo Renal Crónico/fisiopatología , Fuerza de la Mano , Registros de Dieta , Insuficiencia Renal Crónica/terapia , Insuficiencia Renal Crónica/dietoterapia , Insuficiencia Renal Crónica/fisiopatología
6.
Int J Biol Macromol ; 274(Pt 2): 133381, 2024 Jun 22.
Artículo en Inglés | MEDLINE | ID: mdl-38914404

RESUMEN

Dyes, as organic pollutants, are causing increasingly severe environmental problems. Metal-organic frameworks (MOFs) are considered promising dye adsorbents; however, their application is limited due to their powder or solid particle forms and limited reusability. Therefore, this study proposes an innovative approach to develop a novel MOF-based composite aerogel, specifically a HKUST-1/polyacrylonitrile nanofibers/regenerated cellulose (HKUST-1/PANNs/RC) composite aerogel adsorbent, for the adsorption of pollutants in water. This adsorbent was successfully prepared using a simple method combining covalent crosslinking, quick freezing, freeze-drying, in-situ growth synthesis, and solvothermal techniques. The HKUST-1/PANNs/RC composite aerogel exhibits a significantly large specific surface area, which is approximately 64 times greater than that of PANNs/RC (10.45 m2·g-1), with a specific surface area of 669.9 m2·g-1. The PANNs serve as a support framework, imparting excellent mechanical properties to the composite aerogel, enhancing its overall stability and recoverability. Additionally, the composite aerogel contains numerous -COOH and -OH groups on its surface, providing strong acid resistance and facilitating interactions with pollutant molecules through electrostatic interactions, π-π conjugation, n-π* interactions, and hydrogen bonding, thereby promoting the adsorption process. Using methylene blue (MB) as a probe molecule, the study results demonstrate that the HKUST-1/PANNs/RC composite aerogel has an adsorption capacity of 522.01 mg·g-1 for MB (25 h), exhibiting excellent adsorption performance. This composite aerogel shows great potential for application in water pollution control.

7.
Gigascience ; 132024 Jan 02.
Artículo en Inglés | MEDLINE | ID: mdl-38837945

RESUMEN

BACKGROUND: Traditional Chinese medicine has used Peucedanum praeruptorum Dunn (Apiaceae) for a long time. Various coumarins, including the significant constituents praeruptorin (A-E), are the active constituents in the dried roots of P. praeruptorum. Previous transcriptomic and metabolomic studies have attempted to elucidate the distribution and biosynthetic network of these medicinal-valuable compounds. However, the lack of a high-quality reference genome impedes an in-depth understanding of genetic traits and thus the development of better breeding strategies. RESULTS: A telomere-to-telomere (T2T) genome was assembled for P. praeruptorum by combining PacBio HiFi, ONT ultra-long, and Hi-C data. The final genome assembly was approximately 1.798 Gb, assigned to 11 chromosomes with genome completeness >98%. Comparative genomic analysis suggested that P. praeruptorum experienced 2 whole-genome duplication events. By the transcriptomic and metabolomic analysis of the coumarin metabolic pathway, we presented coumarins' spatial and temporal distribution and the expression patterns of critical genes for its biosynthesis. Notably, the COSY and cytochrome P450 genes showed tandem duplications on several chromosomes, which may be responsible for the high accumulation of coumarins. CONCLUSIONS: A T2T genome for P. praeruptorum was obtained, providing molecular insights into the chromosomal distribution of the coumarin biosynthetic genes. This high-quality genome is an essential resource for designing engineering strategies for improving the production of these valuable compounds.


Asunto(s)
Apiaceae , Cumarinas , Genoma de Planta , Telómero , Cumarinas/metabolismo , Apiaceae/genética , Apiaceae/metabolismo , Telómero/genética , Telómero/metabolismo , Evolución Molecular , Filogenia , Genómica/métodos , Vías Biosintéticas/genética
8.
Small ; : e2403457, 2024 Jun 09.
Artículo en Inglés | MEDLINE | ID: mdl-38853138

RESUMEN

A stable stripping/plating process of the zinc anode is extremely critical for the practical application of aqueous zinc metal batteries. However, obstacles, including parasitic reactions and dendrite growth, notoriously deteriorate the stability and reversibility of zinc anode. Herein, Methyl l-α-aspartyl-l-phenylalaninate (Aspartame) is proposed as an effective additive in the ZnSO4 system to realize high stability and reversibility. Aspartame molecule with rich polar functional groups successfully participates in the solvation sheath of Zn2+ to suppress water-induced side reactions. The self-driven adsorption of Aspartame on zinc anode improves uniform deposition with a dose of 10 mm. These synergetic functions endow the zinc anode with a significantly long cycling lifespan of 4500 h. The cell coupled with a vanadium-based cathode also exhibited a high-capacity retention of 71.8% after 1000 cycles, outperforming the additive-free counterparts.

9.
Biomed Pharmacother ; 175: 116708, 2024 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-38723515

RESUMEN

Cervical cancer, a prevalent gynaecological malignancy, presents challenges in late-stage treatment efficacy. Aerobic glycolysis, a prominent metabolic trait in cervical cancer, emerges as a promising target for novel drug discovery. Natural products, originating from traditional medicine, represent a significant therapeutic avenue and primary source for new drug development. This review explores the regulatory mechanisms of glycolysis in cervical cancer and summarises natural compounds that inhibit aerobic glycolysis as a therapeutic strategy. The glycolytic phenotype in cervical cancer is regulated by classical molecules such as HIF-1, HPV virulence factors and specificity protein 1, which facilitate the Warburg effect in cervical cancer. Various natural products, such as artemisinin, shikonin and kaempferol, exert inhibitory effects by downregulating key glycolytic enzymes through signalling pathways such as PI3K/AKT/HIF-1α and JAK2/STAT3. Despite challenges related to drug metabolism and toxicity, these natural compounds provide novel insights and promising avenues for cervical cancer treatment.


Asunto(s)
Productos Biológicos , Glucólisis , Neoplasias del Cuello Uterino , Humanos , Neoplasias del Cuello Uterino/tratamiento farmacológico , Neoplasias del Cuello Uterino/metabolismo , Productos Biológicos/uso terapéutico , Productos Biológicos/farmacología , Femenino , Glucólisis/efectos de los fármacos , Animales , Transducción de Señal/efectos de los fármacos , Antineoplásicos Fitogénicos/uso terapéutico , Antineoplásicos Fitogénicos/farmacología
10.
Artículo en Inglés | MEDLINE | ID: mdl-38805329

RESUMEN

Due to the great successes of Graph Neural Networks (GNN) in numerous fields, growing research interests have been devoted to applying GNN to molecular learning tasks. The molecule structure can be naturally represented as graphs where atoms and bonds refer to nodes and edges respectively. However, the atoms are not haphazardly stacked together but combined into various spatial geometries. Meanwhile, since chemical reactions mainly occur in substructures such as functional groups, the substructure plays a decisive role in the molecule's properties. Therefore, directly applying GNN to molecular representation learning could ignore the molecular spatial structure and the substructure properties which in turn degrades the performance of downstream tasks. In this paper, we propose Knowledge-Driven Self-Supervised Model for Molecular Representation Learning (KSMRL) to address above problems. The KSMRL consists of two major pathways: (1) the Spatial Information (SI) based pathway which preserves the spatial information of molecular structure, (2) the Subgraph Constraint (SC) based pathway which retains the properties of substructures into the molecular representation. In this manner, both the atomic level and substructure level information can be included in modeling. According to the experimental results on multiple datasets, the proposed KSMRL can generate discriminative molecular representations. In molecular generation tasks, KSMRL combined with Autoregressive Flow (AF) models or Discrete Flow (DF) models outperforms the state-of-the-art baselines over all datasets. In addition, we demonstrate the effectiveness of KSMRL with property optimization experiments. To indicate the ability of predicting specified potential Drug-Target Interactions (DTIs), a case study for discriminating the interactions between molecule generated by KSMRL and targets is also given.

11.
Sci Rep ; 14(1): 12215, 2024 05 28.
Artículo en Inglés | MEDLINE | ID: mdl-38806667

RESUMEN

Multi-generational asexual reproduction of Gastrodia elata Bl. will cause seedling species degeneration. Sexual reproduction of Gastrodia elata Bl. seed is an effective method to solve the problem of degeneration. The development of Gastrodia elata Bl. seeds cannot be separated from the germination fungus. However, there are few strains of germination fungus in production, and there is also the problem of species degradation in application for many years. It is very important for the sexual reproduction of Gastrodia elata Bl. to isolate more new strains of excellent germination fungus from the origin. This study used the Gastrodia elata Bl. f. glauca S. chow seeds germination vegetative propagation corms capture method to isolate its symbiotic germination fungus, and comprehensively identified the species of germination fungus by colony morphology, ITS, sporocarps regeneration and germination function, and compared the growth characteristics and germination ability with other germination fungus (Mycena purpureofusca, Mycena dendrobii and Mycena osmundicola). The germination fungus was isolated from the vegetative propagation corms of Gastrodia elata Bl. f. glauca S. chow seeds and named GYGL-1. After comprehensive identification, GYGL-1 was Mycetinis scorodonius. Compared with other germination fungus, GYGL-1 has fast germination speed, vigorous growth, and high germination ability for Gastrodia elata Bl. f. glauca S. chow seeds. Innovated the isolation method of Gastrodia elata Bl. seeds germination fungus, obtained the regenerated sporocarps of the germination fungus, and discovered that Mycetinis scorodonius has a new function of germinating Gastrodia elata Bl. f. glauca S. chow seeds, enriching the resource library of Gastrodia elata Bl. germination fungus.


Asunto(s)
Gastrodia , Germinación , Semillas , Gastrodia/microbiología , Semillas/microbiología , Semillas/crecimiento & desarrollo , Plantones/microbiología , Plantones/crecimiento & desarrollo
12.
Clin Exp Med ; 24(1): 96, 2024 May 08.
Artículo en Inglés | MEDLINE | ID: mdl-38717644

RESUMEN

Primary Sjögren's Syndrome (pSS) falls within the category of connective tissue diseases, characterized by the presence of autoantibodies such as antinuclear antibodies (ANA). However, according to the classification criteria for pSS, some patients may exhibit a negative result for autoantibodies. Patients with a negative result for autoantibodies may lack typical features of connective tissue diseases, and the immunological state as well as the extent of organ involvement and damage may differ from those with positive autoantibodies. This study aims to compare the clinical phenotypes of patients with positive and negative autoantibodies, providing insights for disease classification and treatment selection for clinicians. Patients with pSS were grouped based on the presence and titers of their autoantibodies. Subsequently, differences in organ damage and laboratory indicators were compared between these groups, aiming to analyze the value of autoantibody titers in assessing the condition of pSS. (1) Patients with positive ANA exhibited elevated levels of inflammatory indicators, including ESR, IgG levels, lip gland biopsy pathology grade, and overall organ involvement, in comparison with patients with negative ANA (P < 0.05). Furthermore, ANA-positivity correlated with a higher occurrence of multi-organ damage, particularly affecting the skin, mucous membranes, and the hematological system (P < 0.05). (2) As ANA titers increased, patients demonstrated elevated levels of IgG and an escalation in organ involvement (P < 0.05). (3) Patients in the positive autoantibody group (positive for antinuclear antibodies, anti-SSA, or anti-SSB antibodies) had higher IgG levels compared to the negative group (P < 0.05). (4) Patients with positive anti-SSA and anti-SSB antibodies exhibited higher levels of inflammatory indicators and IgG compared to other patients (P < 0.05); however, no significant differences were observed in terms of organ involvement and organ damage. Patients with positive ANA in pSS typically exhibit higher levels of inflammation and an increased likelihood of experiencing multi-organ damage. Furthermore, as the ANA titers increase, both inflammation levels and the risk of multi-organ damage also escalate. Additionally, the presence of anti-SSA and anti-SSB antibodies may contribute to an elevated risk of increased inflammation levels, but does not increase the risk of organ damage.


Asunto(s)
Anticuerpos Antinucleares , Síndrome de Sjögren , Humanos , Anticuerpos Antinucleares/sangre , Anticuerpos Antinucleares/inmunología , Síndrome de Sjögren/inmunología , Síndrome de Sjögren/patología , Síndrome de Sjögren/sangre , Femenino , Persona de Mediana Edad , Masculino , Adulto , Anciano , Inflamación/inmunología , Inflamación/patología , Inmunoglobulina G/sangre
13.
Chem Biodivers ; : e202401089, 2024 May 13.
Artículo en Inglés | MEDLINE | ID: mdl-38740553

RESUMEN

Croton sublyratus (Euphorbiaceae) is a traditional medicinal plant used by the Thai populace to treat helminthic infections and dermatologic conditions. In present study, eight new labdane-type diterpenoids, crotonoids A-H (1-8) and one known analogue (9) were isolated from the aerial parts of C. sublyratus. Compounds 6 and 7 belong to the rare class of 14,15-dinor-labdane diterpenoids. Compound 8 exhibited a rare 14,15,17-trinor-labdane skeleton. The structures of all these diterpenoids were elucidated by spectroscopic data analysis, electronic circular dichroism calculations, and single-crystal X-ray diffraction analysis. Compound 9 exhibited moderate anti-inflammatory activity via the inhibition of NO production in lipopolysaccharide-induced RAW 264.7 cells.

14.
Sci Adv ; 10(20): eadn0895, 2024 May 17.
Artículo en Inglés | MEDLINE | ID: mdl-38758793

RESUMEN

SUCROSE-NON-FERMENTING1-RELATED PROTEIN KINASE1 (SnRK1), a central plant metabolic sensor kinase, phosphorylates its target proteins, triggering a global shift from anabolism to catabolism. Molecular modeling revealed that upon binding of KIN10 to GEMINIVIRUS REP-INTERACTING KINASE1 (GRIK1), KIN10's activation T-loop reorients into GRIK1's active site, enabling its phosphorylation and activation. Trehalose 6-phosphate (T6P) is a proxy for cellular sugar status and a potent inhibitor of SnRK1. T6P binds to KIN10, a SnRK1 catalytic subunit, weakening its affinity for GRIK1. Here, we investigate the molecular details of T6P inhibition of KIN10. Molecular dynamics simulations and in vitro phosphorylation assays identified and validated the T6P binding site on KIN10. Under high-sugar conditions, T6P binds to KIN10, blocking the reorientation of its activation loop and preventing its phosphorylation and activation by GRIK1. Under these conditions, SnRK1 maintains only basal activity levels, minimizing phosphorylation of its target proteins, thereby facilitating a general shift from catabolism to anabolism.


Asunto(s)
Proteínas de Arabidopsis , Simulación de Dinámica Molecular , Proteínas Serina-Treonina Quinasas , Fosfatos de Azúcar , Trehalosa , Fosfatos de Azúcar/metabolismo , Trehalosa/análogos & derivados , Trehalosa/metabolismo , Proteínas Serina-Treonina Quinasas/metabolismo , Fosforilación , Proteínas de Arabidopsis/metabolismo , Proteínas de Arabidopsis/genética , Proteínas de Arabidopsis/antagonistas & inhibidores , Proteínas de Arabidopsis/química , Unión Proteica , Arabidopsis/metabolismo , Sitios de Unión , Factores de Transcripción
15.
Cell Biochem Biophys ; 2024 May 16.
Artículo en Inglés | MEDLINE | ID: mdl-38753250

RESUMEN

Chronic heart failure (CHF) is a complex multifactorial clinical syndrome leading to abnormal cardiac structure and function. The severe form of this ailment is characterized by high disability, high mortality, and morbidity. Worldwide, 2-17% of patients die at first admission, of which 17-45% die within 1 year of admission and >50% within 5 years. Yangshen Maidong Decoction (YSMDD) is frequently used to treat the deficiency and pain of the heart. The specific mechanism of action of YSMDD in treating CHF, however, remains unclear. Therefore, a network pharmacology-based strategy combined with molecular docking and molecular dynamics simulations was employed to investigate the potential molecular mechanism of YSMDD against CHF. The effective components and their targets of YSMDD and related targets of CHF were predicted and screened based on the public database. The network pharmacology was used to explore the potential targets and possible pathways that involved in YSMDD treated CHF. Molecular docking and molecular dynamics simulations were performed to elucidate the binding affinity between the YSMDD and CHF targets. Screen results, 10 main active ingredients, and 6 key targets were acquired through network pharmacology analysis. Pathway enrichment analysis showed that intersectional targets associated pathways were enriched in the Prostate cancer pathway, Hepatitis B pathway, and C-type lectin receptor signaling pathways. Molecular docking and molecular dynamics simulations analysis suggested 5 critical active ingredients have high binding affinity to the 5 key targets. This research shows the multiple active components and molecular mechanisms of YSMDD in the treatment of CHF and offers resources and suggestions for future studies.

16.
J Agric Food Chem ; 2024 Apr 11.
Artículo en Inglés | MEDLINE | ID: mdl-38602386

RESUMEN

The genus Salix L. is traditionally used in folk medicine to alleviate pain caused by various kinds of inflammation. In the present study, 10 undescribed salicin derivatives along with 5 known congeners were isolated from the barks of Salix tetrasperma, and their structures were elucidated by spectroscopic analyses, single-crystal X-ray diffraction, electronic circular dichroism (ECD) calculations, and chemical conversions. Compounds 4-6 significantly inhibited NO production in lipopolysaccharide (LPS)-induced RAW 264.7 macrophages, and the most active 4 obviously suppressed the production of IL-1ß and IL-6 and decreased iNOS and COX-2 expression in a dose-dependent manner. Further Western blotting analysis revealed that the anti-inflammatory mechanism of 4 is possibly mediated through the MAPK and NF-κB signaling pathways.

17.
Food Chem ; 448: 139141, 2024 Aug 01.
Artículo en Inglés | MEDLINE | ID: mdl-38574716

RESUMEN

Hydrothermal carbonization (HTC) is an effective strategy for high-value utilization of tea residue (TR), and it was noticed the aqueous phase (AP) has not been extensively studied. This study aimed to investigate the chemical components and characteristics of the AP, and applied it in active food packaging films. The results showed that the total phenolic content of AP was 1.86 mg GAE/mL, and the main compounds in AP were organic acids, alcohols, and amino acids. The AP showed excellent antibacterial activity and antioxidant capacity. The active films were prepared using the casting method. The 4:7-AP/PVA film showed outstanding mechanical properties (tensile strength = 34.18 MPa, elongation at break = 458.67%), antioxidant ability (DPPH scavenging capacity 92.01%), antibacterial activity, water resistance and biocompatibility. The banana preservation test showed the AP/PVA films could successfully prolong the shelf-life of bananas and have the potential to be food packaging films.

18.
Dalton Trans ; 53(17): 7384-7396, 2024 Apr 30.
Artículo en Inglés | MEDLINE | ID: mdl-38587258

RESUMEN

The synthesis of nanosized ZSM-5 zeolites with high crystallinity and suitable acidity is very significant for their great potential in various catalytic applications. Herein, a series of zeolite ZSM-5 crystals with different particle sizes and SiO2/Al2O3 ratios (10-30) were synthesized by a temperature-varying two-step crystallization method in a concentrated gel system containing L-lysine and/or polyvinylpyrrolidone (PVP) additives. By optimizing the addition amounts of the two additives, the crystal size of the ZSM-5 zeolite could be reduced to less than 100 nm. Meanwhile, relatively high crystallinity and framework Al incorporation rates could be achieved, resulting in the generation of high-quality ZSM-5 nanocrystals. The nanosized H-form ZSM-5 zeolite with a SiO2/Al2O3 ratio of 20 showed enhanced catalytic efficiency and stability for the alkylation of 2-methylnaphthalene (2-MN) with methanol to produce an important intermediate, 2,6-dimethylnaphthalene (2,6-DMN). A relatively high and steady yield of 2,6-DMN (above 7.2%) could be achieved during 20 h time-on-stream at 400 °C. The smaller crystal size, higher crystallinity and framework Al content could provide more accessible Brønsted acid sites in the 10-membered ring channel of the ZSM-5 nanocrystals, which are the main active sites responsible for the shape-selectivity of the targeted product of 2,6-DMN. As a result, the formation of other side products like 1-MN and poly-MN could be effectively inhibited, thus leading to an improved 2,6-DMN yield and coke resistance over the nanosized ZSM-5 catalyst.

19.
BMC Plant Biol ; 24(1): 350, 2024 Apr 29.
Artículo en Inglés | MEDLINE | ID: mdl-38684982

RESUMEN

BACKGROUND: Dactylicapnos is a climbing herbaceous vine, distributed from the Himalayas to southwestern China, and some of the species have important medicinal values. However, the chloroplast genomes of Dactylicapnos have never been investigated. In this study, chloroplast genomes of seven Dactylicapnos species covering all three sections and one informal group of Dactylicapnos were sequenced and assembled, and the detailed comparative analyses of the chloroplast genome structure were provided for the first time. RESULTS: The results showed that the chloroplast genomes of Dactylicapnos have a typical quadripartite structure with lengths from 172,344 bp to 176,370 bp, encoding a total of 133-140 genes, containing 88-94 protein-coding genes, 8 rRNAs and 37-39 tRNAs. 31 codons were identified as relative synonymous codon usage values greater than one in the chloroplast genome of Dactylicapnos genus based on 80 protein-coding genes. The results of the phylogenetic analysis showed that seven Dactylicapnos species can be divided into three main categories. Phylogenetic analysis revealed that seven species form three major clades which should be treated as three sections. CONCLUSIONS: This study provides the initial report of the chloroplast genomes of Dactylicapnos, their structural variation, comparative genomic and phylogenetic analysis for the first time. The results provide important genetic information for development of medical resources, species identification, infrageneric classification and diversification of Dactylicapnos.


Asunto(s)
Genoma del Cloroplasto , Filogenia , Evolución Molecular
20.
Drug Dev Res ; 85(3): e22192, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38678552

RESUMEN

Non-small cell lung cancer (NSCLC) is a malignant tumor with low overall cure and survival rates. Uncovering abnormally expressed genes is significantly important for developing novel targeted therapies in NSCLC. This study aimed to discover new differentially expressed genes (DEGs) of NSCLC. The DEGs of NSCLC were identified in eight data sets from Gene Expression Omnibus (GEO) database. The expression profiles and the prognostic significance of SCN4B in LUAD and LUSC were analyzed using GEPIA database. LinkedOmics was used to identify co-expressed genes with SCN4B, which were further subjected to KEGG pathway enrichment analysis. SCN4B-overexpressing plasmid (pcDNA/SCN4B) was transfected into A549 and NCI-H2170 cells to elevate the expression of SCN4B. MTT and TUNEL assays were performed to evaluate cell viability and apoptosis. Relying on the screened DEGs from GEO database, we identified that SCN4B was significantly downregulated in LUAD and LUSC. We confirmed the downregulation of SCN4B in NSCLC tissues using GEPIA database. SCN4B has a prognostic value in LUAD, but not LUSC. KEGG pathway enrichment analysis of SCN4B-related genes showed that cGMP-PKG signaling pathway might be involved in the role of SCN4B in NSCLC. Overexpression of SCN4B in A549 and NCI-H2170 cells inhibited the cell viability. Besides, SCN4B overexpression induced apoptosis of A549 and NCI-H2170 cells. SCN4B inhibited the expression of PKG1 and p-CREB in NSCLC cells. Moreover, the inhibitory effects of SCN4B on tumor malignancy were attenuated by the activator of PKG. In conclusion, integrated bioinformatical analysis proved that SCN4B was downregulated and had a prognostic significance in NSCLC. In vitro experimental studies demonstrated that SCN4B regulated NSCLC cells viability and apoptosis via inhibiting cGMP-PKG signaling pathway.


Asunto(s)
Carcinoma de Pulmón de Células no Pequeñas , Biología Computacional , GMP Cíclico , Neoplasias Pulmonares , Humanos , Células A549 , Apoptosis , Carcinoma de Pulmón de Células no Pequeñas/genética , Carcinoma de Pulmón de Células no Pequeñas/metabolismo , Carcinoma de Pulmón de Células no Pequeñas/patología , Línea Celular Tumoral , Supervivencia Celular , GMP Cíclico/metabolismo , Proteínas Quinasas Dependientes de GMP Cíclico/metabolismo , Proteínas Quinasas Dependientes de GMP Cíclico/genética , Regulación hacia Abajo , Regulación Neoplásica de la Expresión Génica , Neoplasias Pulmonares/genética , Neoplasias Pulmonares/metabolismo , Neoplasias Pulmonares/patología , Transducción de Señal
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