Synthesis, biological activities and mechanism studies of 1,3,4-oxadiazole analogues of petiolide A as anticancer agents.

In order to develop new natural product-based anticancer agents, a series of 1,3,4-oxadiazole analogues based on petiolide A were prepared and evaluated for their anticancer activities by MTT method. The structures of all analogues were characterized by various spectral analyses, and B9 was further confirmed by X-ray crystallography. Among all the synthesized compounds, B1 displayed the most promising growth inhibitory effect on colon cancer cells (HCT116) with the IC50 value of 8.53 µM. Flow cytometric analysis exhibited that B1 arrested the cell cycle at G2 phase and induced apoptosis. Additionally, network pharmacology analysis calculated that B1 might target several key proteins, including AKT serine/threonine kinase 1 (AKT1), SRC proto-oncogene, non-receptor tyrosine kinase (SRC) and epidermal growth factor receptor (EGFR). Furthermore, molecular docking study indicated that B1 had potentially high binding affinity to these three target proteins. Given these results, analogue B1 could be deeply developed as potential anticancer agents.

Sophora tonkinensis and active compounds inhibit mitochondrial impairments, inflammation, and LDLR deficiency in myocardial ischemia mice through regulating the vesicle-mediated transport pathway.

Ancient Chinese medicine literature and modern pharmacological studies show that Sophora tonkinensis Gagnep. (ST) has a protective effect on the heart. A biolabel research based on omics and bioinformatics and experimental validation were used to explore the application value of ST in the treatment of heart diseases. Therapeutic potential, mechanism of action, and material basis of ST in treating heart diseases were analyzed by proteomics, metabolomics, bioinformatics, and molecular docking. Cardioprotective effects and mechanisms of ST and active compounds were verified by echocardiography, HE and Masson staining, biochemical analysis, and ELISA in the isoproterenol hydrochloride-induced myocardial ischemia (MI) mice model. The biolabel research suggested that the therapeutic potential of ST for MI may be particularly significant among the heart diseases it may treat. In the isoprenaline hydrochloride-induced MI mice model, ST and its five active compounds (caffeic acid, gallic acid, betulinic acid, esculetin, and cinnamic acid) showed significant protective effects against echocardiographic changes and histopathological damages of the ischemic myocardial tissue. Meanwhile, they showed a tendency to correct mitochondrial structure and function damage and the abnormal expression of 12 biolables (DCTN1, DCTN3, and SCARB2, etc.) in the vesicle-mediated transport pathway, inflammatory cytokines (IL-1ß, IL-6, and IL-10, etc.), and low density lipoprotein receptor (LDLR). The biolabel research identifies a new application value of ST in the treatment of heart diseases. ST and its active compounds inhibit mitochondrial impairments, inflammation, and LDLR deficiency through regulating the vesicle-mediated transport pathway, thus achieving the purpose of treating MI.

Liver protein and metabolite biolabels reveal hepatoprotective effects and active compounds of Eucommiae folium: Exploration of new application of herb based on multi-omics and bioinformatics.

A biolabel-led research based on multi-omics and bioinformatics was applied to analyze the application value of Eucommiae folium (EF) in liver cirrhosis, as well as the mechanism of action and material basis. Multi-omics were used to analyze the biolabels and key pathways of EF intervention in liver tissue. Subsequently, based on the information, bioinformatics was used to analyze the application value of EF in liver disease, as well the mechanism of action and material basis. Finally, histopathological and target expression analyses in an animal model were used to verify biolabels analysis results. Multi-omics showed that 18 proteins and 10 metabolites involved in five key pathways were screened as biolabels. Bioinformatics suggested that the application value of EF for liver cirrhosis may be the highest among the liver diseases that it may treat. Additionally, EF and five active compounds (curcumol, eucalyptol, (+)-catechin, naringenin, and quercetin) may protect the cirrhotic liver against the excessive energy expenditure and hepatic stellate cells activation through suppressing the oxidative phosphorylation pathway in a CCl4-induced mouse model. This study provides reference and evidence for the application value of EF in liver diseases, especially liver cirrhosis.

Exploring the hypoglycemic mechanism of chlorogenic acids from Pyrrosia petiolosa (Christ) Ching on type 2 diabetes mellitus based on network pharmacology and transcriptomics strategy.

ETHNOPHARMACOLOGICAL RELEVANCE: Pyrrosia petiolosa (Christ) Ching (YBSW) is a Traditional Chinese medicine rich in chlorogenic acids. It is an important component in many Traditional Chinese medicinal hypoglycemic formulas and is commonly used by the Miao people to treat diabetes with good efficacy. Our previous research has suggested that chlorogenic acids may be the active ingredients in YBSW. AIM OF THE STUDY: To explore the mechanisms underlying the anti-type 2 diabetes mellitus (T2DM) hypoglycemic effects of chlorogenic acids contained in YBSW. MATERIALS AND METHODS: In vivo experiments, hematoxylin-eosin staining (HE) staining, and immunohistochemistry (IHC) were used to determine the effects of chlorogenic acids contained in YBSW in rats. mRNA expression profiling, microarray analysis, and network pharmacology were used to analyze the underlying mechanisms of the effects. Finally, apoptosis and changes in the related pathways were evaluated in vitro using a 3-(4,5-dimethyl-2-thia-zolyl)-2,5-diphenyl-2-H-tetrazolium bromide assay, quantitative real-time polymerase chain reaction, immunofluorescence (IF) assessment, and flow cytometry. RESULTS: After the administration of isochlorogenic acid B, the levels of triglycerides, serum total cholesterol, and fasting blood glucose significantly decreased. HE and IHC staining revealed that isochlorogenic acid B significantly increased insulin expression in islet cells. Using network pharmacology and RNA-seq Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis, we screened the advanced glycation end products-receptor for advanced glycation end products (AGE-RAGE) signaling pathway. We also verified that YBSW and its chlorogenic acid can inhibit apoptosis and downregulate the expression of related mRNA in the AGE-RAGE pathway in RIN-m5f cells. CONCLUSIONS: YBSW exhibits a significant hypoglycemic effect, with chlorogenic acid being an effective component. The therapeutic effect of chlorogenic acids contained in YBSW is mainly realized by promoting insulin secretion and pancreatic tissue repair. Moreover, YBSW substantially mitigates apoptosis via the AGE-RAGE pathway in T2DM.

Two New Compounds Isolated from the Itea omeiensis and Their Anti-oxidant Activities.

Two new compounds (1-2) together with ten known compounds (3-12) were isolated for the first time from the 95 % EtOH extract of aerial parts of Itea omeiensis. Their structures were elucidated based on extensive spectroscopic analyses and comparison with published data. The structure of 1 was further confirmed through single-crystal X-ray diffraction analysis, and circular dichroism (CD) spectrum in combination with acid hydrolysis was employed for the absolute configuration determination of 2. Compound 1 was the first 2-arylbenzo[b]furan with an extra six-membered lactone ring from Itea plants. Anti-oxidant assays indicated that compound 1 possessed significant radical scavenging effects on 1,1-Diphenyl-2-picrylhydrazyl (DPPH) and 2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS⋅+ ) with IC50 values of 0.14 and 0.06 mg/mL, respectively, which were comparable to the positive control of ascorbic acid. However, no obvious anti-hepatocellular carcinoma activity was observed for compounds 1 and 2.

Improvement of the YOLOv5 Model in the Optimization of the Brown Spot Disease Recognition Algorithm of Kidney Bean.

The kidney bean is an important cash crop whose growth and yield are severely affected by brown spot disease. Traditional target detection models cannot effectively screen out key features, resulting in model overfitting and weak generalization ability. In this study, a Bi-Directional Feature Pyramid Network (BiFPN) and Squeeze and Excitation (SE) module were added to a YOLOv5 model to improve the multi-scale feature fusion and key feature extraction abilities of the improved model. The results show that the BiFPN and SE modules show higher heat in the target location region and pay less attention to irrelevant environmental information in the non-target region. The detection Precision, Recall, and mean average Precision (mAP@0.5) of the improved YOLOv5 model are 94.7%, 88.2%, and 92.5%, respectively, which are 4.9% higher in Precision, 0.5% higher in Recall, and 25.6% higher in the mean average Precision compared to the original YOLOv5 model. Compared with the YOLOv5-SE, YOLOv5-BiFPN, FasterR-CNN, and EfficientDet models, detection Precision improved by 1.8%, 3.0%, 9.4%, and 9.5%, respectively. Moreover, the rate of missed and wrong detection in the improved YOLOv5 model is only 8.16%. Therefore, the YOLOv5-SE-BiFPN model can more effectively detect the brown spot area of kidney beans.

A novel method for maize leaf disease classification using the RGB-D post-segmentation image data.

Maize (Zea mays L.) is one of the most important crops, influencing food production and even the whole industry. In recent years, global crop production has been facing great challenges from diseases. However, most of the traditional methods make it difficult to efficiently identify disease-related phenotypes in germplasm resources, especially in actual field environments. To overcome this limitation, our study aims to evaluate the potential of the multi-sensor synchronized RGB-D camera with depth information for maize leaf disease classification. We distinguished maize leaves from the background based on the RGB-D depth information to eliminate interference from complex field environments. Four deep learning models (i.e., Resnet50, MobilenetV2, Vgg16, and Efficientnet-B3) were used to classify three main types of maize diseases, i.e., the curvularia leaf spot [Curvularia lunata (Wakker) Boedijn], the small spot [Bipolaris maydis (Nishik.) Shoemaker], and the mixed spot diseases. We finally compared the pre-segmentation and post-segmentation results to test the robustness of the above models. Our main findings are: 1) The maize disease classification models based on the pre-segmentation image data performed slightly better than the ones based on the post-segmentation image data. 2) The pre-segmentation models overestimated the accuracy of disease classification due to the complexity of the background, but post-segmentation models focusing on leaf disease features provided more practical results with shorter prediction times. 3) Among the post-segmentation models, the Resnet50 and MobilenetV2 models showed similar accuracy and were better than the Vgg16 and Efficientnet-B3 models, and the MobilenetV2 model performed better than the other three models in terms of the size and the single image prediction time. Overall, this study provides a novel method for maize leaf disease classification using the post-segmentation image data from a multi-sensor synchronized RGB-D camera and offers the possibility of developing relevant portable devices.

Cardioprotection of Eucommiae Folium: the extract and pharmaceutically active compounds attenuate hyperglycemia, mitochondrial dysfunction, calcium dyshomeostasis, insulin resistance, and oxidative stress in diabetic cardiomyopathy db/db mice.

OBJECTIVES: A biolabel research based on multi-omics, informatics, molecular docking, and experimental verification was used to investigate the cardioprotective effect and pharmaceutically active compounds of Eucommiae Folium (EF). KEY FINDINGS: Based on the biolabel research pattern, metabonomics, proteomics, and bioinformatics indicated that EF has a therapeutic potential for a variety of heart diseases, especially cardiomyopathy, and the most critical mechanism involved is the diabetic cardiomyopathy pathway. Bioinformatics, cheminformatics, and molecular docking showed that 24 EF compounds may play a therapeutic role in diabetic cardiomyopathy via this pathway. Among which, four compounds (kaempferol, esculetin, (+)-catechin, and astragalin) showed appropriate pharmacokinetic parameters and formed stable binding with biolabels in the pathway. In diabetic cardiomyopathy db/db mice, histopathological analysis, mitochondrial swelling and membrane potential assay, ELISA, and biochemical analysis demonstrated that EF and four active compounds had obvious hypoglycemic effects and attenuated myocardial damage and related pathological processes, such as mitochondrial dysfunction, calcium dyshomeostasis, insulin resistance, and oxidative stress. CONCLUSIONS: This study provides new evidence and insights into the effect, mechanism, and material basis of EF in treating diabetic cardiomyopathy.

Two new 2-arylbenzo[b]furans from Itea indochinensis and their anti-hepatocellular carcinoma and anti-oxidant effects.

Two new 2-arylbenzo[b]furans (1-2) and ten known compounds (3-12) were identified from the 95% EtOH extract of the branches and leaves of Itea indochinensis for the first time. Their structures were determined mainly based on extensive analyses of UV, IR, 1D/2D NMR and HRMS spectra. The results of MTT assays demonstrated the anti-tumor potential of compound 1 with good selectivity, which displayed moderate inhibitory effects on proliferation of SK-hep-1 cells with IC50 value of 22.3 µM, while weak inhibitory effect on proliferation of HepG2 cells with an inhibition rate of 25% at 20 µM, and no obviously inhibitory effect on proliferation of A549 cells at 20 µM. In addition, compound 1 exhibited its significant scavenging capacity on ABTS·+ free radical with an IC50 value of 0.11 mg/mL, while weak scavenging effects on DPPH and O2·- radicals with scavenging ratios of 32.93% and 21.49% at 1 mg/mL, respectively.

Hydroxide-Mediated SNAr Rearrangement for Synthesis of Novel Depside Derivatives Containing Diaryl Ether Skeleton as Antitumor Agents.

A simple and efficient hydroxide-mediated SNAr rearrangement was reported to synthesize new depside derivatives containing the diaryl ether skeleton from the natural product barbatic acid. The prepared compounds were determined using 1H NMR, 13C NMR, HRMS, and X-ray crystallographic analysis and were also screened in vitro for cytotoxicity against three cancer cell lines and one normal cell line. The evaluation results showed that compound 3b possessed the best antiproliferative activity against liver cancer HepG2 cell line and low toxicity, which made it worth further study.

Study on 2-arylbenzo[b]furans from Itea omeiensis and their fragmentation patterns with Q-Orbitrap mass spectrometry.

One new 2-arylbenzo[b]furan named iteafuranal F (1) as well as two known analogues (2-3) were isolated from the 95% EtOH extract of aerial parts of Itea omeiensis. Their chemical structures were constructed based on extensive analyses of UV, IR, 1D/2D NMR and HRMS spectra. Antioxidant assays revealed significant superoxide anion radical scavenging capacity of 1 with IC50 value of 0.66 mg/mL, which was comparable to the efficiency of positive control of luteolin. In addition, the preliminary MS fragmentation patterns in negative ion mode were established to distinguish 2-arylbenzo[b]furans with C-10 in different oxidation states: the characteristic loss of CO molecule [M-H-28]- was observed for 3-formyl-2-arylbenzo[b]furans, and the loss of CH2O fragment [M-H-30]- for 3-hydroxymethyl-2-arylbenzo[b]furans, and the loss of CO2 fragment [M-H-44]- for 2-arylbenzo[b]furan-3-carboxylic acids.

Semisynthesis, Biological Evaluation and Molecular Docking Studies of Barbatic Acid Derivatives as Novel Diuretic Candidates.

Barbatic acid, a compound isolated from lichen, has demonstrated a variety of biological activities. In this study, a series of esters based on barbatic acid (6a-q') were designed, synthesized, and evaluated for their diuretic and litholytic activity at a concentration of 100 µmol/L in vitro. All target compounds were characterized using 1H NMR, 13C NMR, and HRMS, and the spatial structure of compound 6w was confirmed using X-ray crystallography. The biological results showed that some derivatives, including 6c, 6b', and 6f', exhibited potent diuretic activity, and 6j and 6m displayed promising litholytic activity. Molecular docking studies further suggested that 6b' had an optimal binding affinity to WNK1 kinases related to diuresis, while 6j could bind to the bicarbonate transporter CaSR through a variety of forces. These findings indicate that some barbatic acid derivatives could be further developed into novel diuretic agents.

Non-destructive monitoring of maize LAI by fusing UAV spectral and textural features.

Leaf area index (LAI) is an essential indicator for crop growth monitoring and yield prediction. Real-time, non-destructive, and accurate monitoring of crop LAI is of great significance for intelligent decision-making on crop fertilization, irrigation, as well as for predicting and warning grain productivity. This study aims to investigate the feasibility of using spectral and texture features from unmanned aerial vehicle (UAV) multispectral imagery combined with machine learning modeling methods to achieve maize LAI estimation. In this study, remote sensing monitoring of maize LAI was carried out based on a UAV high-throughput phenotyping platform using different varieties of maize as the research target. Firstly, the spectral parameters and texture features were extracted from the UAV multispectral images, and the Normalized Difference Texture Index (NDTI), Difference Texture Index (DTI) and Ratio Texture Index (RTI) were constructed by linear calculation of texture features. Then, the correlation between LAI and spectral parameters, texture features and texture indices were analyzed, and the image features with strong correlation were screened out. Finally, combined with machine learning method, LAI estimation models of different types of input variables were constructed, and the effect of image features combination on LAI estimation was evaluated. The results revealed that the vegetation indices based on the red (650 nm), red-edge (705 nm) and NIR (842 nm) bands had high correlation coefficients with LAI. The correlation between the linearly transformed texture features and LAI was significantly improved. Besides, machine learning models combining spectral and texture features have the best performance. Support Vector Machine (SVM) models of vegetation and texture indices are the best in terms of fit, stability and estimation accuracy (R2 = 0.813, RMSE = 0.297, RPD = 2.084). The results of this study were conducive to improving the efficiency of maize variety selection and provide some reference for UAV high-throughput phenotyping technology for fine crop management at the field plot scale. The results give evidence of the breeding efficiency of maize varieties and provide a certain reference for UAV high-throughput phenotypic technology in crop management at the field scale.

Study on Hyperspectral Monitoring Model of Total Flavonoids and Total Phenols in Tartary Buckwheat Grains.

Tartary buckwheat is a common functional food. Its grains are rich in flavonoids and phenols. The rapid measurement of flavonoids and phenols in buckwheat grains is of great significance in promoting the development of the buckwheat industry. This study, based on multiple scattering correction (MSC), standardized normal variate (SNV), reciprocal logarithm (Lg), first-order derivative (FD), second-order derivative (SD), and fractional-order derivative (FOD) preprocessing spectra, constructed hyperspectral monitoring models of total flavonoids content and total phenols content in tartary buckwheat grains. The results showed that SNV, Lg, FD, SD, and FOD preprocessing had different effects on the original spectral reflectance and that FOD can also reflect the change process from the original spectrum to the integer-order derivative spectrum. Compared with the original spectrum, MSC, SNV, Lg, FD, and SD transformation spectra can improve the correlation between spectral data and total flavonoids and total phenols in varying degrees, while the correlation between FOD spectra of different orders and total flavonoids and total phenols in grains was different. The monitoring models of total flavonoids and total phenols in grains based on MSC, SNV, Lg, FD, and SD transformation spectra achieved the best accuracy under SD and FD transformation, respectively. Therefore, this study further constructed monitoring models of total flavonoids and total phenols content in grains based on the FOD spectrum and achieved the best accuracy under 1.6 and 0.6 order derivative preprocessing, respectively. The R2c, RMSEc, R2v, RMSEv, and RPD were 0.8731, 0.1332, 0.8384, 0.1448, and 2.4475 for the total flavonoids model, and 0.8296, 0.2025, 0.6535, 0.1740, and 1.6713 for the total phenols model. The model can realize the rapid measurement of total flavonoids content and total phenols content in tartary buckwheat grains, respectively.

Eucommiae Folium and Active Compounds Protect Against Mitochondrial Dysfunction-Calcium Overload in Epileptic Hippocampal Neurons Through the Hypertrophic Cardiomyopathy Pathway.

Epilepsy is a chronic brain disease and often occurs suddenly for no reason. Eucommiae folium (EF), an edible herb, can be used in the treatment of various kinds of brain diseases in clinic. From the perspective of safety and efficacy, EF is especially suitable for the treatment of chronic brain diseases. With the help of biolabels, this study was aimed to explore the value and feasibility of EF in the treatment of epilepsy. Proteomics and metabolomics were used to explore the biolabels of EF intervention in brain tissues. Bioinformatics was then applied to topologically analyze its neuroprotective effects and mechanisms and material basis based on biolabels, which were validated in an animal model. The biolabel-led research revealed that EF may exert the therapeutic potential to treat brain diseases through the interaction between multiple compounds and multiple targets, among which its therapeutic potential for epilepsy is particularly prominent. In the pentylenetetrazole-induction model, EF and four active compounds (oleamide, catechol, chlorogenic acid, and kaempferol) protected epileptic hippocampal neurons (Nissl and FJB staining) against mitochondrial dysfunction (MYH6, MYL3, and MYBPC3, etc.) and calcium overload (TNNI3, TNNC1, and TNNT2, etc.) through the hypertrophic cardiomyopathy pathway. This study provides new evidence and insights for the neuroprotective effects of EF, in which four active compounds may be potential drug candidates for the treatment of epilepsy.

Identification of structural variations related to drought tolerance in wheat (Triticum aestivum L.).

KEY MESSAGE: Structural variations are common in plant genomes, affecting meiotic recombination and distorted segregation in wheat. And presence/absence variations can significantly affect drought tolerance in wheat. Drought is a major abiotic stress limiting wheat production. Common wheat has a complex genome with three sub-genomes, which host large numbers of structural variations (SVs). SVs play critical roles in understanding the genetic contributions of plant domestication and phenotypic plasticity, but little is known about their genomic characteristics and their effects on drought tolerance. In the present study, high-resolution karyotypes of 180 doubled haploids (DHs) were developed. Signal polymorphisms between the parents involved with 8 presence-absence variations (PAVs) of tandem repeats (TR) distributed on the 7 (2A, 4A, 5A, 7A, 3B, 7B, and 2D) of 21 chromosomes. Among them, PAV on chromosome 2D showed distorted segregation, others transmit normal conforming to a 1:1 segregation ration in the population; and a PAVs recombination occurred on chromosome 2A. Association analysis of PAV and phenotypic traits under different water regimes, we found PAVs on chromosomes 4A, 5A, and 7B showed negative effect on grain length (GL) and grain width (GW); PAV.7A had opposite effect on grain thickness (GT) and spike length (SL), with the effect on traits differing under different water regimes. PAVs on linkage group 2A, 4A, 7A, 2D, and 7B associated with the drought tolerance coefficients (DTCs), and significant negative effect on drought resistance values (D values) were detected in PAV.7B. Additionally, quantitative trait loci (QTL) associated with phenotypic traits using the 90 K SNP array showed QTL for DTCs and grain-related traits in chromosomes 4A, and 5A, 3B were co-localized in differential regions of PAVs. These PAVs can cause the differentiation of the target region of SNP and could be used for genetic improvement of agronomic traits under drought stress via marker-assisted selection (MAS) breeding.

Qualitative and quantitative method for quality control of Itea ilicifolia based on antioxidant Q-markers.

Itea ilicifolia Oliv is a folk medicine with antioxidant potential. In this study, the fingerprints of 14 batches of I. ilicifolia were established by HPLC with 17 common peaks. The similarities evaluated by Similarity Evaluation System for Chromatographic Fingerprint of Chinese Materia (version 2012) were >0.89. Ten compounds were identified with definite structures by comparing the retention time and characteristic UV spectral pattern with those of reference substances. The antioxidant capacities of 14 batches of I. ilicifolia were evaluated based on O2 ·- , DPPH and ABTS·+ radical scavenging assays in combination with ferric reducing antioxidant power assay. Via multivariate statistical analyses of gray relation analysis, bivariate correlation analysis and partial least squares regression analysis, a study on the spectrum-effect relationship was then performed to screen eight peaks as the antioxidant Q-markers of I. ilicifolia. The contents of representative antioxidant Q-markers (isoorientin, orientin, vitexin, isovitexin and iteafuranal A) in samples were accurately determined to be 0.054-0.118%, 0.034-0.080%, 0.018-0.055%, 0.031-0.091% and 0.033-0.140%, respectively. The qualitative and quantitative analytical method based on Q-markers helps to control the antioxidant quality of I. ilicifolia, which will lay the foundation to promote the rational utilization of I. ilicifolia in curing diseases related to oxidative stress.

[Hyperspectral monitoring on proline content in winter wheat under water stress]. / æ°´åˆ†èƒè¿«ä¸‹å†¬å°éº¦è„¯æ°¨é ¸å«é‡é«˜å ‰è°±ç›‘æµ‹.

Frequent occurrence of drought disaster will seriously affect the growth and development of winter wheat (Triticum aestivum). We set different water stress treatments (80%, 60%, 45%, 35%, 30% of field water capacity) to simulate the severity of drought disaster. We measured free proline content (Pro) of winter wheat, and investigated the responses of Pro to canopy spectral reflectance under water stress. Three methods, i.e., correlation analysis and stepwise multiple linear regression (CA+SMLR), partial least squares and stepwise multiple linear regression (PLS+SMLR), and successive projections algorithm (SPA) were used to extract the hyperspectral cha-racteristic region and characteristic band of proline. Furthermore, partial least square regression (PLSR) and multiple linear regression (MLR) methods were used to establish the predicted models. The results showed that Pro content of winter wheat was higher under water stress, and that the spectral reflectance of canopy changed regularly in different bands, indicating that Pro content of winter wheat was sensitive to water stress. The content of Pro was highly correlated with the red edge of canopy spectral reflectance, with the 754, 756 and 761 nm bands being sensitive to Pro change. The PLSR model performed good, followed by the MLR model, both showing good predictive ability and high model accuracy. In general, it was feasible to monitor Pro content of winter wheat by hyperspectral technique.

Terpenoids as anti-inflammatory substances inhibiting COX-2 isolated from the fibrous roots of Alangium chinense (Lour.) Harms.

A new sesquiterpene, 1-carbonyl-2,8-dihydroxy-11-oxabicyclo [4,4,1] germacra- 2(3),4(5),6(7),8(9)-tetraene (1) and four known compounds (3E, 23E)-3-caffeoyl-23-coumaroylhederagenin (2), (3E, 23E)-dicoumaroylhederagenin (3), morettinone (4), 24-ehylcholesta-3,6-dione (5) were isolated from the ethyl acetate layer of the fibrous root of Alangium chinense (Lour.) Harms. The structure of compound 1 was characterized by its 1H-NMR, 13C-NMR, DEPT, HMBC, HSQC spectrums, and the structures of the known compounds were determined by comparison of their spectroscopic data with those reported by the literatures. The obtained compounds were evaluated for their anti-inflammatory against cyclooxygenase (COX-2). Compound 1 has a good inhibitory effect against COX-2 with IC50 20.43 ± 4.72 µM. The compounds 2-5 have inhibitory effect against COX-2 with IC50 49.19 ± 0.76, 23.29 ± 0.99, 47.78 ± 1.33, and 44.44 ± 0.12 µM, respectively.

Omics combined with network pharmacology reveal the neuroprotective mechanism of Sophora tonkinensis based on the biolabel research pattern: The treatment of Parkinson's disease against oxidative stress and neuroexcitatory toxicity.

Based on the biolabel research pattern, omics and network pharmacology were used for exploring the neuroprotection of Sophora tonkinensis (ST) in the treatment of brain diseases. Multi-omics were applied to investigate biolabels for ST intervention in brain tissue. Based on biolabels, the therapeutic potential, mechanism and material basis of ST for treating brain diseases were topologically analyzed by network pharmacology. A Parkinson's disease (PD) mouse model was used to validate biolabel analysis results. Four proteins and three metabolites were involved in two key pathways (alanine, aspartate and glutamate metabolism and arginine biosynthesis) and considered as biolabels. Network pharmacology showed that ST has the potential to treat some brain diseases, especially PD. Eight compounds (including caffeic acid, gallic acid and cinnamic acid) may serve as the material basis of ST treating brain diseases via the mediation of three biolabels. In the PD model, ST and its active compounds (caffeic acid and gallic acid) may protect dopaminergic neurons (maximum recovery rate for dopamine, 49.5%) from oxidative stress (E3 ubiquitin-protein ligase parkin, reactive oxygen species, nitric oxide, etc.) and neuroexcitatory toxicity (glutamate dehydrogenase, glutamine, glutamic acid, etc.). These findings indicated that omics and network pharmacology may contribute to the achievement of the objectives of this study based on the biolabel research pattern.