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2.
Postgrad Med ; : 1-10, 2024 Mar 25.
Artículo en Inglés | MEDLINE | ID: mdl-38511546

RESUMEN

OBJECTIVE: To investigate the correlation between serum ferritin (SF) and bone turnover markers in type 2 diabetes mellitus (T2DM) patients with non-alcoholic fatty liver disease (NAFLD). METHODS: Seven hundred and forty-two people with T2DM were selected. Serum bone turnover markers: osteocalcin (OC), type I procollagen N-terminal peptide (PINP), ß-I type collagen carboxy-terminal peptide (ß-CTx), and 25-hydroxyvitamin D3 (25-[OH]-D) levels were detected. High SF (HF) was defined as the indicated SF levels above 400 ng/mL in males and more than 150 ng/mL in females. Patients were divided into four groups: T2DM+normal SF (non-HF); T2DM+high SF (HF); T2DM+NAFLD+non-HF; andT2DM+NAFLD+HF. Relationships between SF and bone turnover markers were analyzed. RESULTS: Compared with the T2DM+non-HF group, ß-CTx levels were higher in the T2DM+HFgroup. Compared with the T2DM+NAFLD+non-HF group, ß-CTx levels were increased and 25-(OH)-D levels decreased in the T2DM+NAFLD+HF group (all p < 0.05). SF was positively correlated with ß-CTx [ß = 0.074; 95% CI (0.003, 0.205)] and negatively correlated with 25-(OH)-D [ß=-0.108; 95%CI (-0.006, -0.001)]. Compared with the T2DM+non-HF group, an independent positive correlation was found between ß-CTx and SF in the T2DM+NAFLD+HF group [OR = 1.002; 95% CI (1.001, 1.004)]. Among males, SF was positively correlatedwith ß-CTx [ß = 0.114; 95% CI (0.031, 0.266)]. SF was negatively correlated with 25-(OH)-D levels in both male and female patients [ß=-0.124; 95% CI (0.007,0.001) and ß=-0.168; 95% CI (-0.012, -0.002)]. Among those >50 years of age and postmenopausal females, SF was negatively correlated with 25-(OH)-D levels [ß=-0.117; 95% CI (-0.007, -0.001) and ß=-0.003; 95% CI (-0.013, -0.003)]. CONCLUSION: SF level was positively correlated with ß-CTx in T2DM patients with NAFLD, which may promote bone resorption and increase the risk of bone loss.

3.
Int J Biol Macromol ; 260(Pt 2): 129567, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38246462

RESUMEN

Having poor interfacial compatibility between biochar microsphere (BM) and polylactic acid (PLA) should be responsible for the unbalance of composite film strength and toughness. Elucidating the effect of polydopamine (PDA) on BM and BM/PLA composite films is the ultimate goal of this study based on the mussel bionic principle. It was found that the strong adhesion of PDA on the BM surface was achieved, which improved the surface roughness and thermal stability. Also, PDA modification can facilitate crystallization, increase thermal properties, improve interfacial compatibility, and enhance the tensile properties of BM/PLA composite films. Silane-based PDA modified BM/PLA composite film exhibited the best tensile strength, tensile modulus, and elongation at break with 77.95 MPa, 1.87 GPa, and 7.30%. These noteworthy findings, achieving a simultaneous improvement in PLA strength and toughness, hold promising implications for its sustainability.


Asunto(s)
Carbón Orgánico , Indoles , Poliésteres , Polímeros , Microesferas , Poliésteres/química
4.
Chem Commun (Camb) ; 60(15): 2009-2021, 2024 Feb 15.
Artículo en Inglés | MEDLINE | ID: mdl-38275083

RESUMEN

Self-assembly is an important strategy for constructing ordered structures and complex functions in nature. Based on this, people can imitate nature and artificially construct functional materials with novel structures through the supermolecular self-assembly pathway of biological interfaces. Among the many assembly units, peptide molecular self-assembly has received widespread attention in recent years. In this review, we introduce the interactions (hydrophobic interaction, hydrogen bond, and electrostatic interaction) between peptide nanomaterials and biological interfaces, summarizing the latest advancements in multifunctional self-assembling peptide materials. We systematically demonstrate the assembly mechanisms of peptides at biological interfaces, such as proteins and cell membranes, while highlighting their application potential and challenges in fields like drug delivery, antibacterial strategies, and cancer therapy.


Asunto(s)
Nanoestructuras , Péptidos , Humanos , Péptidos/química , Nanoestructuras/química , Sistemas de Liberación de Medicamentos
5.
Food Microbiol ; 119: 104454, 2024 May.
Artículo en Inglés | MEDLINE | ID: mdl-38225054

RESUMEN

Tibetan kefir grains (TKGs) are a complex protein-lipid-polysaccharide matrix composed of various microorganisms. Microorganisms have the benefit of being effective, secure, and controllable when used for selenium enrichment. In this study, selenium-enriched Tibetan kefir grains (Se-TKGs) were made, and the microbiology composition was analyzed through a metagenomic analysis, to explore the influence of selenium enrichment. The microbial composition of TKGs and Se-TKGs, as well as the probiotic species, quorum sensing system (QS) and functional genes were compared and evaluated. Lactobacillus kefiranofaciens was the most abundant microbial species in both communities. Compared with TKGs, Se-TKGs had a much higher relative abundance of acetic acid bacteria. Lactobacillus helveticus was the most common probiotic species both in TKGs and Se-TKGs. Probiotics with antibacterial and anti-inflammatory properties were more abundant in Se-TKGs. QS analysis revealed that Se-TKGs contained more QS system-associated genes than TKGs. Moreover, Kyoto Encyclopedia of Genes and Genomes analysis revealed that the pathway for human disease ko01501 had the greatest relative abundance in both TKGs and Se-TKGs. Compared with TKGs, Se-TKGs demonstrated a greater relative abundance of different drug resistance-related metabolic pathways. Additionally, linear discriminant analysis effect size was used to examine the biomarkers responsible for the difference between the two groups. In this study, we focused on the microbiological structure of TKGs and Se-TKGs, with the aim of establishing a foundation for a more thorough investigation of Se-TKGs and providing a basis for exploring potential future use.


Asunto(s)
Productos Lácteos Cultivados , Kéfir , Selenio , Humanos , Productos Lácteos Cultivados/microbiología , Tibet , Bacterias/genética
6.
Nat Biotechnol ; 42(4): 638-650, 2024 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-37322276

RESUMEN

Base editors have substantial promise in basic research and as therapeutic agents for the correction of pathogenic mutations. The development of adenine transversion editors has posed a particular challenge. Here we report a class of base editors that enable efficient adenine transversion, including precise A•T-to-C•G editing. We found that a fusion of mouse alkyladenine DNA glycosylase (mAAG) with nickase Cas9 and deaminase TadA-8e catalyzed adenosine transversion in specific sequence contexts. Laboratory evolution of mAAG significantly increased A-to-C/T conversion efficiency up to 73% and expanded the targeting scope. Further engineering yielded adenine-to-cytosine base editors (ACBEs), including a high-accuracy ACBE-Q variant, that precisely install A-to-C transversions with minimal Cas9-independent off-targeting effects. ACBEs mediated high-efficiency installation or correction of five pathogenic mutations in mouse embryos and human cell lines. Founder mice showed 44-56% average A-to-C edits and allelic frequencies of up to 100%. Adenosine transversion editors substantially expand the capabilities and possible applications of base editing technology.


Asunto(s)
Adenina , Edición Génica , Animales , Ratones , Humanos , Adenina/metabolismo , Mutación , Citosina/metabolismo , Adenosina , Sistemas CRISPR-Cas/genética , Mamíferos/genética
7.
RSC Adv ; 13(20): 13819-13823, 2023 May 02.
Artículo en Inglés | MEDLINE | ID: mdl-37181510

RESUMEN

A simple and metal-free catalytic system composed of NaOtBu/DMF and an O2 balloon efficiently converted 5-hydroxymethylfurfural (5-HMF) to furan-2,5-dicarboxylic acid with an 80.85% yield. 5-HMF analogues and various types of alcohols were also transformed to their corresponding acids in satisfactory to excellent yield by this catalytic system.

8.
RSC Adv ; 13(11): 7524-7534, 2023 Mar 01.
Artículo en Inglés | MEDLINE | ID: mdl-36895772

RESUMEN

Research on the biogenic-specific morphology of carbonate minerals has made progress in the fields of biomineralization and industrial engineering. In this study, mineralization experiments were performed using Arthrobacter sp. MF-2, including its biofilms. The results showed that a particular morphology of minerals (i.e., disc-shaped) was observed in the mineralization experiments with strain MF-2. The disc-shaped minerals were formed near the air/solution interface. We also observed that disc-shaped minerals formed in experiments with the biofilms of strain MF-2. Therefore, the nucleation of carbonate particles on the biofilm templates produced a novel disc-shaped morphology which was assembled from calcite nanocrystals radiating out from the periphery of the template biofilms. Further, we propose a possible formation mechanism of the disc-shaped morphology. This study may provide new perspectives on the formation mechanism of carbonate morphogenesis in the process of biomineralization.

9.
Chirality ; 35(9): 636-644, 2023 09.
Artículo en Inglés | MEDLINE | ID: mdl-36951148

RESUMEN

This study presents the development of three new chiral stationary phases. They are based on silica modified with peptides containing phenylalanine and proline. Successful analyses and characterizations were conducted using Fourier transform infrared spectra, elemental analysis, and thermogravimetric analysis. After this, the enantioselective performance of the three chiral peptide-based columns was evaluated. The evaluation used 11 racemic compounds under normal-phase high performance liquid chromatography mode. Optimized enantiomeric separation conditions were established. Under these conditions, the enantiomers of flurbiprofen and naproxen were successfully separated on CSP-1 column: the separation factor of these was 1.27 and 1.21, respectively. In addition, the reproducibility of the CSP-1 column was also investigated. The results of the investigation illustrated that the stationary phases have good reproducibility (RSD = 0.73%, n = 5).


Asunto(s)
Flurbiprofeno , Naproxeno , Estereoisomerismo , Reproducibilidad de los Resultados , Cromatografía Líquida de Alta Presión/métodos
10.
BMC Pediatr ; 22(1): 627, 2022 10 31.
Artículo en Inglés | MEDLINE | ID: mdl-36324104

RESUMEN

BACKGROUND: Very preterm infants often require mechanical ventilation. However, objective criteria to predict the outcomes of extubation in very premature neonates remain lacking. The aim of this study was to investigate the accuracy of the spontaneous breathing trial (SBT) using a combined model of continuous positive airway pressure (CPAP) and low-level pressure support ventilation (PSV) to predict the extubation outcomes of preterm infants with gestational age < 32 weeks. METHODS: Preterm infants with gestational age < 32 weeks, birth weight < 1500 g and requiring mechanical ventilation were selected for the study. All infants underwent a 10-minute SBT using CPAP combined with low-level PSV prior to the planned extubation. Then, the infants were extubated within 1 h after SBT. The outcomes of extubation were considered successful if the neonates did not require reintubation 72 h after extubation. RESULTS: A total of 119 eligible preterm infants were enrolled in the study, with a median gestational age of 28.9 (27.1-30.3) weeks and a median birth weight of 1100 (900-1350) g. In total, 101 of all infants had successful extubation, 18 of whom failed and eventually had to be reintubated. Of the 102 infants who achieved SBT, 99 were successfully extubated, and 15 of the 17 infants who did not pass SBT had failed extubation. Finally, the diagnostic value for SBT could be assessed with a sensitivity of 98%, a specificity of 83.3%, a positive predictive value of 97.1% and a negative predictive value of 88.2%. CONCLUSION: SBT using a combined CPAP + low-level PSV model can predict the outcomes of extubation in very preterm infants with high sensitivity and specificity.


Asunto(s)
Extubación Traqueal , Enfermedades del Prematuro , Lactante , Femenino , Recién Nacido , Humanos , Presión de las Vías Aéreas Positiva Contínua , Peso al Nacer , Recien Nacido Prematuro , Desconexión del Ventilador , Enfermedades del Prematuro/terapia , Retardo del Crecimiento Fetal , Recién Nacido de muy Bajo Peso
11.
Int J Biol Macromol ; 221: 1404-1414, 2022 Nov 30.
Artículo en Inglés | MEDLINE | ID: mdl-36089089

RESUMEN

Bacterial infection causes wound inflammation and slows wound healing, posing a great threat to human health, which needs to explore more antibacterial nanobiomaterials to promote wound healing. Therefore, this study was conducted to develop low-cost silver/Fe3O4@Chitosan@polyvinyl alcohol (Ag/Fe3O4@CS@PVA) via a one-pot method to promote healing in bacteria-infected wounds. Scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), Fourier-transform infrared (FT-IR), X-ray photoelectron spectroscopy (XPS), and vibrating sample magnetometry (VSM) confirmed that Ag/Fe3O4@CS@PVA was successfully prepared. In vitro antibacterial experiments demonstrated strong antibacterial activity of Ag/Fe3O4@CS@PVA against Escherichia coli and Staphylococcus aureus. The Ag/Fe3O4@CS@PVA destroyed the bacterial cell membrane or internal structure, thus resulting in cell death for antibacterial effects. Cytotoxicity and hemolysis rate tests showed that Ag/Fe3O4@CS@PVA posed fine biocompatibility. In addition, in vivo assays confirmed that Ag/Fe3O4@CS@PVA not only promoted the healing of wound infection caused by bacteria, but also had no toxic effect on mouse organs. Therefore, the low-cost Ag/Fe3O4@CS@PVA nanocomposites have great potential in controlling 'bacterial' pathogen.


Asunto(s)
Antibacterianos , Nanopartículas de Magnetita , Nanopartículas del Metal , Plata , Animales , Ratones , Antibacterianos/farmacología , Antibacterianos/química , Quitosano/química , Escherichia coli/efectos de los fármacos , Nanopartículas del Metal/química , Alcohol Polivinílico/química , Plata/química , Plata/farmacología , Espectroscopía Infrarroja por Transformada de Fourier , Cicatrización de Heridas , Óxido Ferrosoférrico/química , Staphylococcus aureus/efectos de los fármacos , Nanocompuestos/química
12.
Front Chem ; 10: 961814, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-35991592

RESUMEN

Developing a new and efficient catalytic route for the production of alkanes by upgrading the aqueous phenolic biofuels still remains a challenge. Here, we designed and synthesized a bifunctional catalyst that uses natural montmorillonite (MMT) as support and combines metal active sites and BrÓ§nsted acid sites in the MMT via ion exchange and reduction roasting process. The catalytic activity of the as-synthesized Pd-MMT (H+) was evaluated by the hydrodeoxygenation (HDO) of a series of lignin-derived phenolic compounds in water. Our model reaction study reveals that the HDO of phenol undergoes an initial hydrogenation of aromatic rings to produce cyclohexanol and cyclohexanone, followed by the dehydration of cyclohexanol to provide intermediate cyclohexene and a final hydrogenation of cyclohexene to create a cyclohexane product. The combination of high metal catalytic activity and BrÓ§nsted acidity in Pd-MMT (H+) synergistically accelerated the HDO of phenol. Furthermore, good catalytic activity and recycling ability were also observed for other lignin-derived phenolic compounds.

13.
Bioorg Med Chem Lett ; 72: 128873, 2022 09 15.
Artículo en Inglés | MEDLINE | ID: mdl-35779827

RESUMEN

A novel series of 2-(2- oxoethyl)pyrimidine-5-carboxamide derivatives were designed, synthesized and evaluated as acetylcholinesterase inhibitors (AChEIs) for the treatment of Alzheimer's disease (AD). Biological activity results demonstrated that compound 10q showed the best inhibitory activity against AChE (IC50 = 0.88 ± 0.78 µM), which was better than that of Huperzine-A, and its inhibitory effect on BuChE was weak (IC50 = 10.0 ± 1.30 µM), which indicated that compound 10q was a dominant AChE inhibitor. In addition, the result of molecular docking study displayed that 10q could simultaneously bind to CAS and PAS sites of AChE, which was consistent with the mixed inhibition mode shown by the enzymatic kinetics study of 10q. Furthermore, the molecular properties of the target compounds were predicted online using the molinspiration server and pkCSM, The results exhibited that compound 10q had drug-like properties that satisfied the Lipinski's rule of five. Based on the bioactivity and molecular properties, compound 10q for further development was valuable.


Asunto(s)
Enfermedad de Alzheimer , Inhibidores de la Colinesterasa , Acetilcolinesterasa/metabolismo , Enfermedad de Alzheimer/tratamiento farmacológico , Diseño de Fármacos , Humanos , Simulación del Acoplamiento Molecular , Pirimidinas/farmacología , Relación Estructura-Actividad
14.
Artículo en Inglés | MEDLINE | ID: mdl-35509624

RESUMEN

Objective: To explore the mechanism and principles of traditional Chinese medicine (TCM) in the management of radiation pneumonia. Methods: The targets of radiation pneumonia were obtained by screening the GeneCards, OMIM, TTD, DrugBank, and HERB databases, analyzing ADME parameters. In addition, compounds and Chinese herbs that can act on the targets were screened from the TCMSP database. The core target compounds for TCM were used to construct the target-compound, compound-traditional Chinese medicine, and target-compound-traditional Chinese medicine networks. These networks were further used to select the core targets, compounds, and TCM. The binding strength between the core targets and compounds was determined using AutoDock Vina. The trajectory for the molecular dynamics simulation was completed by Desmond version 2020. Results: A total of 55 active targets in radiation pneumonia were identified. Subsequently, 137 candidate compounds and 469 Chinese herbs were matched. Frequency statistics showed that the Chinese herbs that could interfere with radiation pneumonia were mainly bitter, spicy, and sweet, with both cold and warm properties. Moreover, they mainly belonged to liver and lung channels. The core targets included TNF, IL-6, TGF-ß1, and TP53. The most important components were quercetin, resveratrol, and (-)-epigallocatechin-3-gallate. Moreover, the most significant traditional Chinese herbs were Perilla pueraria, ephedra, Lonicerae japonicae, and sea buckthorn. Furthermore, analysis of 222 sets of receptor-ligand docking results suggested that the compounds had good docking activity to their core targets. By combining the docking binding energy, we determined that the chemical compounds had strong binding energy to the targets. Conclusion: Using network pharmacology, we explored the potential mechanism of TCM in the treatment of radiation pneumonia. The general rules for application of TCM in the treatment of radiation pneumonia were summarized. This study provides baseline information for future research on the development of TCM for the management of radiation pneumonia.

15.
Opt Express ; 30(1): 349-363, 2022 Jan 03.
Artículo en Inglés | MEDLINE | ID: mdl-35201213

RESUMEN

Film is widely used in optoelectronic and semiconductor industries. The accurate measurement of the film thickness and refractive index, as well as the surface topography of the top and bottom surfaces are necessary to ensure its processing quality. Multiple measurement methods were developed; however, they are limited by the requirements of a known dispersion model and initial values of thickness and refractive index. Further, their systems are rarely compatible with surface topography measurement methods. We propose a constrained nonlinear fitting method to simultaneously measure the thickness and refractive index of film in a simple white-light spectral interferometer. The nonlinear phase extracted by the spectral phase-shifting is fitted with the theoretical nonlinear phase obtained by multiple reflection model. The constraints of nonlinear fitting are obtained by the interferometric signal of vertical scanning, reconstructed by the integration of the white-light spectral signal to avoid local minima. The proposed method does not require a priori knowledge of the dispersion model and initial values of thickness and refractive index, and its system is compatible with the vertical scanning interferometry (VSI) method to reconstruct the surface topography of the top and bottom surfaces of film. Three SiO2 films with different thicknesses are measured, and the results show that the measured refractive index is within the theoretical value range of wavelength bandwidth and the measured thicknesses are closely aligned with the values provided by the commercial instrument. The measurement repeatability of refractive index reaches 10-3. Measurements on a polymer film demonstrate that this method is feasible for measuring the film without a priori information.

16.
Breast ; 61: 108-117, 2022 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-34942430

RESUMEN

OBJECTIVE: To clarify the effect of postmastectomy radiotherapy (PMRT) on pT1-2N1 breast cancer patients with different molecular subtypes. METHODS: We retrospectively analyzed the data of 5442 patients with pT1-2N1 breast cancer treated using modified radical mastectomy in 11 hospitals in China. Univariate, multivariate, and propensity score matching (PSM) analyses were used to evaluate the effect of PMRT on locoregional recurrence (LRR). RESULTS: With a median follow-up duration of 63.8 months, the 5-year LRR rates were 4.0% and 7.7% among patients treated with and without PMRT, respectively (p < 0.001). PMRT was independently associated with reduced LRR after adjustments for confounders (p < 0.001). After grouping the patients according to the molecular subtype of cancer and conducting PSM, we found that the 5-year LRR rates among patients treated with and without PMRT (in that order) were as follows: luminal HER2-negative cancer, 1.9% and 6.5% (p < 0.001); luminal HER2-positive cancer, 3.8% and 13.7% (p = 0.041); HER2-overexpressing cancer, 10.2% and 15.5% (p = 0.236); and triple-negative cancer, 4.6% and 15.9% (p = 0.002). Among patients with HER2-overexpressing and triple-negative cancers, the LRR hazard rate displayed a dominant early peak, and was extremely low after 5 years. However, patients with luminal cancer continued to have a long-lasting high annual LRR hazard rate during follow-up. CONCLUSION: PMRT significantly reduced the LRR risk in patients with pT1-2N1 luminal and triple-negative breast cancers, but had no effect on the LRR risk in patients with HER2-overexpressing cancer. Patients with different molecular subtypes displayed different annual LRR patterns, and the late recurrence of the luminal subtype suggests the necessity of long-term follow-up to evaluate the efficacy of PMRT.


Asunto(s)
Neoplasias de la Mama , Neoplasias de la Mama Triple Negativas , Neoplasias de la Mama/patología , Neoplasias de la Mama/radioterapia , Neoplasias de la Mama/cirugía , Femenino , Humanos , Mastectomía , Recurrencia Local de Neoplasia/patología , Estadificación de Neoplasias , Puntaje de Propensión , Radioterapia Adyuvante , Estudios Retrospectivos , Neoplasias de la Mama Triple Negativas/patología
17.
Opt Express ; 29(22): 36689-36703, 2021 Oct 25.
Artículo en Inglés | MEDLINE | ID: mdl-34809074

RESUMEN

Optical interferometers are widely used in the measurement of micro- and nanoscale surface topography. However, their accuracy and resolution can be seriously affected by environmental noise. We present a multi-mode interferometric measurement system based on wavelength modulation and active vibration resistance. This supports two measurement modes: wavelength-scanning interferometry, which is suitable for structured surfaces, and wavelength-tuning interferometry, which is suitable for smooth continuous surfaces. In addition, the system can measure the optical path difference of the current position in real time, which is convenient for making system adjustments and improving the measurement accuracy. The proposed system was used to measure 1.806 µm and 43.2 nm step height standards. Under different degrees of vibration, the measured heights in the two modes agreed well with the calibrated values.

18.
Artículo en Inglés | MEDLINE | ID: mdl-34484411

RESUMEN

Drugs for the treatment of tumors could result in cardiotoxicity and cardiovascular diseases. We aimed to explore the anticancer properties of Huang yam as well as its cardioprotective properties using network pharmacology and molecular docking technology. The cardiovascular targets of the major chemical components of Huang yam were obtained from the following databases: TCMSP, ETCM, and BATMAN-TCM. The active ingredients of Huang yam were obtained from SwissADME. The cardiovascular targets of antitumor drugs were obtained using GeneCards, OMIM, DrugBank, DisGeNET, and SwissTargetPrediction databases. The drug-disease intersection genes were used to construct a drug-compound-target network using Cytoscape 3.7.1. A protein-protein interaction network was constructed using Cytoscape's BisoGenet, and the core targets of Huang yam were screened to determine their antitumor properties and identify the cardiovascular targets based on topological parameters. Potential targets were imported into the Metascape platform for GO and KEGG analysis. The results were saved and visualized using R software. The components with higher median values in the network were molecularly docked with the core targets. The network contained 10 compounds, including daucosterol, delusive, dioxin, panthogenin-B, and 124 targets, such as TP53, RPS27A, and UBC. The GO function enrichment analysis showed that there were 478 items in total. KEGG enrichment analysis showed a total of 140 main pathways associated with abnormal transcription of cancer, PI3K-Akt signaling pathway, cell cycle, cancer pathway, ubiquitination-mediated proteolysis, and other pathways. Molecular docking results showed that daucosterol, delusive, dioxin, and panthogenin-B had the highest affinity for TP53, RPS27A, and UBC. The treatment of diseases using traditional Chinese medicine encompasses multiple active ingredients, targets, and pathways. Huang yam has the potential to treat cardiotoxicity caused by antitumor drugs.

19.
Artículo en Inglés | MEDLINE | ID: mdl-34007289

RESUMEN

Although traditional Chinese medicine is effective and safe for the treatment of angiogenesis, the in vivo intervention mechanism is diverse, complex, and largely unknown. Therefore, we aimed to explore the active ingredients of traditional Chinese medicine and their mechanisms of action against angiogenesis. Data on angiogenesis-related targets were collected from GeneCards, Therapeutic Target Database, Online Mendelian Inheritance in Man, DrugBank, and DisGeNET. These were matched to related molecular compounds and ingredients in the traditional Chinese medicine system pharmacology platform. The data were integrated and based on the condition of degree > 1, and relevant literature, target-compound, compound-medicine, and target-compound-medicine networks were constructed using Cytoscape. Molecular docking was used to predict the predominant binding combination of core targets and components. We obtained 79 targets for angiogenesis; 41 targets were matched to 3839 compounds, of which 110 compounds were selected owing to their high correlation with angiogenesis. Fifty-five combinations in the network were obtained by molecular docking, among which PTGS2-astragalin (-9.18 kcal/mol), KDR-astragalin (-7.94 kcal/mol), PTGS2-quercetin (-7.41 kcal/mol), and PTGS2-myricetin (-7.21 kcal/mol) were top. These results indicated that the selected potential core compounds have good binding activity with the core targets. Eighty new combinations were obtained from the network, and the top combinations based on affinity were KDR-beta-carotene (-10.13 kcal/mol), MMP9-beta-sitosterol (-8.04 kcal/mol), MMP9-astragalin (-7.82 kcal/mol), and MMP9-diosgenin (-7.51 kcal/mol). The core targets included PTGS2, KDR, VEGFA, and MMP9. The essential components identified were astragalin, kaempferol, myricetin, quercetin, and ß-sitosterol. The crucial Chinese medicines identified included Polygoni Cuspidati Rhizoma et Radix, Morus alba Root Bark, and Forsythiae Fructus. By systematically analysing the ingredients of traditional Chinese medicine and their targets, it is possible to determine their potential mechanisms of action against pathological angiogenesis. Our study provides a basis for further research and the development of new therapeutics for angiogenesis.

20.
Artículo en Inglés | MEDLINE | ID: mdl-33868436

RESUMEN

In this study, the role of traditional Chinese medicine (TCM) in relieving epidermal growth factor receptor-tyrosine kinase inhibitor- (EGFR-TKI-) associated diarrhea was discussed by network pharmacology and data mining. Prediction of drug targets by introducing the EGFR-TKI molecular structures into the SwissTargetPrediction platform and diarrhea-related targets in the DrugBank, GeneCards, DisGeNET, and OMIM databases were obtained. Compounds in the drug-disease target intersection were screened by absorption, distribution, metabolism, and excretion parameters and Lipinski's rule in Traditional Chinese Medicine Systems Pharmacology. TCM-containing compounds were selected, and information on the property, taste, and meridian tropism of these TCMs was summarized and analyzed. A target-compound-TCM network diagram was constructed, and core targets, compounds, and TCMs were selected. The core targets and components were docked by AutoDock Vina (Version 1.1.2) to explore the target combinations of related compounds and evaluate the docking activity of related targets and compounds. Twenty-three potential therapeutic TCM targets for the treatment of EGFR-TKI-related diarrhea were obtained. There were 339 compounds acting on potential therapeutic targets, involving a total of 402 TCMs. The results of molecular docking showed good binding between the core targets and compounds, and the binding between the core targets and compounds was similar to that of the core target and the recommended drug loperamide. TCMs have multitarget characteristics and are present in a variety of compounds used for relieving EGFR-TKI-associated diarrhea. Antitumor activity and the efficacy of alleviating diarrhea are the pharmacological basis of combining TCMs with EGFR-TKI in the treatment of non-small-cell lung cancer. The core targets, compounds, and TCMs can provide data to support experimental and clinical studies on the relief of EGFR-TKI-associated diarrhea in the future.

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