Prediction of drug-drug plasma protein binding interactions of resveratrol in combination with celecoxib and leflunomide by molecular docking combined with an ultrafiltration technique

The present study is aimed at computational prediction of the molecular interactions between resveratrol, celecoxib, leflunomide and human serum albumin (HSA) and then investigates the plasma protein binding of resveratrol combined with celecoxib or leflunomide by an ultrafiltration technique. Molecular operating environment (MOE, 2008.10) software package was used to explore molecular interactions between the drugs and HSA. Molecular docking was adopted to predict the interactions between resveratrol and other drugs and then the ultrafiltration technique was used to verify the docking results. In in vitro experiments, a mixture of resveratrol and celecoxib or leflunomide was added to rat plasma for determination of the plasma protein binding rate. Molecular docking results have shown that resveratrol interacts with HSA mainly through hydrogen bond and π-π stacking, while celecoxib and leflunomide bind only with the hydrogen bond. Celecoxib or leflunomide, even at high tested doses, did not affect the plasma protein binding of resveratrol, thus suggesting pharmacological suitability of the investigated combinations

Triaqua­(N 2,N 4-di-2-pyridylpyrimidine-2,4-diamine)cobalt(II) fumarate

The Co atom in the title compound, [Co(C14H12N6)(H2O)3]C4H2O4, has a mer-CoN3O3 octa­hedral coordination arising from the tridentate N 2,N 4-di-2-pyridylpyrimidine-2,4-diamine (tpda) ligand and three coordinated water mol­ecules. The asymmetric unit contains two fumarate half-anions, both completed by inversion symmetry. A network of N—H⋯O and O—H⋯O hydrogen bonds leads to a three-dimensional network in the crystal structure

Belamcanda chinensis (l.) Dc: Ethnopharmacology, phytochemistryand pharmacology of an important traditional Chinese medicine

Background: Belamcanda chinensis (L.) DC (Iridaceae), a widely used traditional Chinese medicine known as She Gan (Chinese: 射干), is a flowering perennial herb native to East Asia. For thousands of years in China, the rhizome of Belamcanda chinensis has been used to treat inflammation, oxyhepatitis, mumps, acute mastitis, and asthma, as well as throat disorders such as cough, tonsillitis and pharyngitis. Belamcanda chinensis is now listed in the Pharmacopoeia of the People’s Republic of China. The present paper reviews the advancements in the investigation of botany, ethnopharmacology, phytochemistry, pharmacology and toxicology of Belamcanda chinensis.Materials and Methods: Information on Belamcanda chinensis was collected from scientific journals, books, theses and reports via library and electronic search (PubMed, CNKI, Elsevier, ACS, Google Scholar, Baidu Scholar,Web of Science and Science Direct).Results: A number of chemical compounds have been isolated from Belamcanda chinensis, and the major isolated compounds have been identified as isoflavonoids, flavonoids and iridal-type triterpenoids. Among these active compounds, the effects of tectoridin and tectorigenin have been widely investigated. The primary active components in Belamcanda chinensis possess a wide range of pharmacological activities, including anti-inflammatory, anti-oxidative, anti-tumour, anti-alcohol injury, cardiovascular and oestrogenic activities.Conclusions: As an important traditional Chinese medicine, Belamcanda chinensis has been demonstrated to have marked bioactivity, especially in the respiratory system and as an oestrogenic and hepatoprotective agent. This activity is related to its traditional use and provides opportunities for the development of novel drugs and therapeutic products for various diseases. However, the toxicity of Belamcanda chinensis will require further study, and more attention should be devoted to its better utilization.Keywords: Belamcanda chinensis; Ethnopharmacology; Phytochemistry; Pharmacology; Toxicolog

Hybrid Particle and Kalman Filtering for Pupil Tracking in Active IR Illumination Gaze Tracking System

A novel pupil tracking method is proposed by combining particle filtering and Kalman filtering for the fast and accurate detection of pupil target in an active infrared source gaze tracking system. Firstly, we utilize particle filtering to track pupil in synthesis triple-channel color map (STCCM) for the fast detection and develop a comprehensive pupil motion model to conduct and analyze the randomness of pupil motion. Moreover, we built a pupil observational model based on the similarity measurement with generated histogram to improve the credibility of particle weights. Particle filtering can detect pupil region in adjacent frames rapidly. Secondly, we adopted Kalman filtering to estimate the pupil parameters more precisely. The state transitional equation of the Kalman filtering is determined by the particle filtering estimation, and the observation of the Kalman filtering is dependent on the detected pupil parameters in the corresponding region of difference images estimated by particle filtering. Tracking results of Kalman filtering are the final pupil target parameters. Experimental results demonstrated the effectiveness and feasibility of this method.Published versio

Global trends in the incidence rates of MDR and XDR tuberculosis: Findings from the global burden of disease study 2019

Purpose: The study aimed to quantify the global trends of the incidence rates of multidrug-resistant (MDR) tuberculosis (MDR-TB) and extensively drug-resistant (XDR) tuberculosis (XDR-TB).Methods: Cases, age-standardized rates (ASRs), and incidence rates of MDR-TB and XDR-TB during 2010–2019 were obtained from the Global Burden of Disease Study 2019. The incidence trends of MDR-TB and XDR-TB were evaluated using the estimated annual percentage changes (EAPCs) in ASRs. The relationships among the ASRs of MDR-TB and XDR-TB, the MDR rate, the XDR rate, and socio-demographic index (SDI) were assessed using locally weighted regression and Pearson’s correlation coefficient.Results: The global ASR of MDR-TB on average decreased by 1.36% (EAPC = −1.36, 95% confidence interval [CI] = −2.19 to −0.52) per year whereas that of XDR-TB was stable (EAPC = 0.69, 95% CI = −0.15–1.54) during 2010–2019. The incidence trends of MDR-TB in most regions and countries were decreasing, but those of XDR-TB were increasing. People aged 35–44 and 55–64 years had the highest incidence rates for MDR-TB and XDR-TB. The MDR and XDR rates both peaked in those aged 35–44 years. Areas with higher SDI tended to have lower ASRs of MDR-TB (p < 0.001, ρ = −0.43).Conclusion: The current achievements for the incidence trends of MDR-TB and XDR-TB are insufficient. More strategies and tools need to be developed to further curb MDR-TB and XDR-TB, especially in high-risk areas and age groups, and in low SDI regions

1,3,5-Trinitro-2,4-bis­(2-phenyl­ethen­yl)benzene

In the title compound, C22H15N3O6, the central benzene ring and one of the phenyl rings are essentially parallel to each other, making a dihedral angle of 1.35 (16)°. The dihedral angle between the two phenyl rings is 83.56 (19)°. Intra­molecular C—H⋯N and C—H⋯O hydrogen bonds occur. In the crystal, mol­ecules are linked through C—H⋯O hydrogen bonds. Furthermore, offset face-to-face π–π inter­actions with centroid–centroid distances of 3.644 (2) Å help to stabilize the crystal structure

Research progress in the treatment of retinitis pigmentosa

Retinitis Pigmentosa(RP)is a group of inherited retinal diseases characterized by progressive photoreceptor cells loss and pigment epithelial cell dysfunction. It is one of the most common disease worldwide which leads to blindness, and there were no effective treatments for RP in the past decades. Recently, lots of methods were considered effective to treat with RP, including stem cell therapy, gene therapy, neuroprotective therapy, nutritional therapy, hyperbaric oxygen therapy, retinal transplantation and traditional Chinese medicine. In this review, we conducted a comprehensive analysis and assessment on the findings of the progress of RP treatment at domestic and overseas

Poly[[tetra­aquadi-μ3-oxalato-μ2-oxalato-diprasedymium(III)] dihydrate]

In the title compound, {[Pr2(C2O4)3(H2O)4]·2H2O}n, the three-dimensional network structure has the PrIII ion coordinated by nine O atoms in a distorted tricapped trigonal-prismatic geometry. The coordinated and uncoordinated water mol­ecules inter­act with the carboxyl­ate O atoms to consolidate the network via O—H⋯O hydrogen bonds

8-(Carboxy­methoxy)­quinolinium nitrate monohydrate

In the title compound, C11H10NO3 +·NO3 −·H2O, the planar 8-carboxy­methoxy­quinolinium cation, the nitrate anion and the water mol­ecule are dimerized by hydrogen bonds into square building-block units, and then further assembled into two-dimensional gently undulating supra­molecular layers