Dipeptidyl peptidase-IV (DPP-IV) rapidly breaks down the incretin hormones glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic peptide (GIP). Thus, use of DPP-IV inhibitors to retard degradation endogenous GLP-1 is a possible mode therapy correcting defect in incretin-related physiology. The aim this study find new small molecule explore inhibition activity enzyme using computer aided simulation. In study, predicted compounds were suggested as potent anti-diabetic...

With the simple perovskite structure, Bi2WO6 could be utilized as a modifier to overcome low visible light response of wide energy band photocatalyst ZnS. Flower-like was simply synthesized by hydrothermal method and Bi2WO6/ZnS heterojunction constructed via solvothermal reaction. The results showed that ZnS nanospheres were uniformly loaded on flower-like which well kept under concentration loading (≤20%ωt ZnS). degradation MB Rh.B used measure photocatalytic activity photocatalysts. rates...

Abstract With different Zn2+/Cd2+ ratios, ZnxCd1-xS (x=0.1-0.9) were prepared by a hydrothermal method. The structural and optical properties of them analyzed via XRD, SEM, XPS, BET, UV-VIS DRS PL characterization tests. results from the degradation methylene blue (MB), rhodamine B (RhB) tetracycline (TC) under visible light showed that photocatalytic performance ZnXCd1-XS series superior to pure ZnS CdS, Zn0.6Cd0.4S was best one. processes tested in water sources, data implied efficiency...

Dl-PHPB [potassium 2-(1-hydroxypentyl) benzoate] demonstrates robust neuroprotective effects in preclinical models of Alzheimer's disease (AD), significantly ameliorating cognitive deficits and pathological hallmarks. However, the underlying mechanism remains largely unclear. The current study primarily focused on elucidating dl-PHPB's mechanisms identifying potential targets AD models. Comparative proteomic analyses were performed APP/PS1 mice orally administered either dl-PHPB (30 mg/kg)...

Abstract The hydrogen bonding complexes formed between the H 2 O and OH radical have been completely investigated for first time in this study using density functional theory (DFT). A larger basis set 6‐311++G(2 d ,2 p ) has employed conjunction with a hybrid method, namely, UB3LYP/6‐311++G(2 ). two degenerate components of Π ground electronic state give rise to independent states upon interaction water molecule, occurring oxygen atom radical. Another bond occurs one atoms extensive...

Bi2MoO6 was one of the important bismuth-based semiconductors with a narrow bandgap, and has been widely used in selective oxidation catalysts, supercapacitors, energy-storage devices. A series Bi2MoO6/ZnO composite photocatalysts different mass ratios were synthesized by hydrothermal method. The samples characterized XRD, PL, UV-Vis, SEM, TEM, XPS, BET analysis techniques. Under visible light conditions, Methylene blue (MB) as target degradation product to evaluate its photocatalytic...

Abstract Photoresponsive materials are a key part of the age smart technology that have potential in broad range applications. Coordination networks (CNs) widely used due to their designability and stability. In this work, three novel alkaline earth metal coordination (AEM‐CNs): [Mg(CMNDI)(H 2 O) ], [Ca(CMNDI)(H ]⋅H O, [Sr(CMNDI)(H O)(DMF)] with fsl , cds scn topology nets were synthetized via N N’ ‐bis(carboxymethyl)‐1,4,5,8‐naphthalenediimide (H CMNDI); net is not found Reticular Chemistry...

The protein tyrosine phosphatase 1B (PTP1B) is a critical therapeutic target for type 2 diabetes mellitus (T2DM). Many PTP1B inhibitors have been reported, however, most of them lack high specificity and adverse effects. Designing effective requires understanding the molecular mechanism action between PTP1B. To this end, dynamics (MD) simulations mechanics Poisson Boltzmann Surface Area (MM-PB/SA) methods were used to observe binding patterns compounds with similar pentacyclic triterpene...

Identification of active site is critical for developing advanced heterogeneous catalysis. Here, a nickel/silica (Ni/SiO2) catalyst was prepared through an ammonia-evaporation method CO methanation. The as-obtained Ni/SiO2 shows conversion 96.74% and methane selectivity 93.58% at 623 K with weight hourly space velocity 25,000 mL·g−1·h−1. After 150 h continuous testing, the still retains 96%, which indicates high stability long life. An in situ vacuum transmission infrared spectrum...

Introduction: SARS-CoV-2 is a novel coronavirus with highly contagious and has posed significant threat to global public health. The main protease (Mpro) promising target for antiviral drugs against SARS-CoV-2. Methods: In this study, we have used pharmacophore-based drug design technology identify potential compounds from databases as Mpro inhibitors. Results: procedure involves pharmacophore modeling, validation, virtual screening, which identifies 257 inhibitory activity. Discussion:...

Using the density functional theory (DFT) method, we investigated adsorption of NO on undoped and Ce-doped LaCoO3 (011) surface. According to our calculations, best site is not changed after Ce doping. When molecule adsorbed perfect LaO-terminated surface, most stable hollow-top, which corresponds hollow-NO configuration in study. After substitution La with Ce, energy increased. For CoO2-terminated it found that Co-NO preferential structure. Its can also be enhanced surface configuration,...

Introduction Coronavirus Disease-2019 (COVID-19) is an infectious disease caused by SARS-CoV-2. Severe cases of COVID-19 are characterized intense inflammatory process that may ultimately lead to organ failure and patient death. Qingfei Paidu Decoction (QFPD), a traditional Chines e medicine (TCM) formula, widely used in China as anti-SARS-CoV-2 anti-inflammatory. However, the potential targets mechanisms for QFPD exert or anti-inflammatory effects remain unclear. Methods In this study,...

Coronavirus disease 2019 (COVID-19) is a rapidly emerging infectious caused by SARS-CoV-2. Inflammatory factors may play essential roles in COVID-19 progression. Huashi Baidu Decoction (HSBD) traditional Chinese medicine (TCM) formula that can expel cold, dispel dampness, and reduce inflammation. HSBD has been widely used for the treatment of COVID-19. However, active ingredients potential targets to exert anti-inflammatory or anti-SARS-CoV-2 effects remain unclear. In this paper, with...