作者机构：
[Yuan, Hong; Zeng, Weili; Liu, Chunrong; Cai, Zhiyi; Li, Man; Chen, Linfeng; Li, Mengzhao] Cent China Normal Univ, Int Joint Res Ctr Intelligent Biosensing Technol &, Sch Chem, Key Lab Pesticide & Chem Biol,Minist Educ, Wuhan 430079, Peoples R China.
通讯机构：
[Chunrong Liu] K;Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, International Joint Research Center for Intelligent Biosensing Technology and Health, School of Chemistry, Central China Normal University, Wuhan, 430079, China
摘要：
4-Hydroxyphenylpyruvate dioxygenase (HPPD) plays a key role in tyrosine metabolism and has been identified as a promising target for herbicide and drug discovery. The structures of HPPD complexed with different types of inhibitors have been determined previously. We summarize the structures of HPPD complexed with structurally diverse molecules, including inhibitors, natural products, substrates, and catalytic intermediates; from these structures, the detailed inhibitory mechanisms of different inhibitors were analyzed and compared, and the key structural factors determining the slow-binding behavior of inhibitors were identified. Further, we propose four subpockets that accommodate different inhibitor substructures. We believe that these analyses will facilitate in-depth understanding of the enzymatic reaction mechanism and enable the design of new inhibitors with higher potency and selectivity.
期刊：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2023年284:121786 ISSN：1386-1425
通讯作者：
Yan-Ping Zhou<&wdkj&>Jian Yang<&wdkj&>Haiyan Fu
作者机构：
[Suo, Yixin; Yang, Xiaolong; Bai, Xiuyun; Fu, Haiyan; Long, Wanjun; Chen, Hengye] South Cent Minzu Univ, Modernizat Engn Technol Res Ctr Ethn Minor Med Hub, Sch Pharmaceut Sci, Wuhan 430074, Peoples R China.;[Zhang, Qi; Zhou, Yan-Ping; Wang, Si-Rui] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.;[Yang, Jian] China Acad Chinese Med Sci, Natl Resource Ctr Chinese Mat Med, State Key Lab Breeding Base Dao di Herbs, Beijing 100700, Peoples R China.
通讯机构：
[Yan-Ping Zhou] K;[Jian Yang] S;[Haiyan Fu] T;Key Laboratory of Pesticide and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, PR China<&wdkj&>The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province, School of Pharmaceutical Sciences, South-Central Minzu University, Wuhan 430074, PR China<&wdkj&>State Key Laboratory Breeding Base of Dao-di Herbs, National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China
关键词：
Chemometrics;Geographical origin;Hangbaiju;Hyperspectral imaging;Quality control
摘要：
Hangbaiju is highly appreciated flower tea for its health benefits, and its quality and price are affected by geographical origin. Fast and accurate identification of the geographical origin of Hangbaiju is very significant for producers, consumers and market regulators. In this work, hyperspectral imaging combined with chemometrics, was used, for the first time, to explore and implement the geographical origin classification of Hangbaiju. The hyperspectral images in the spectral range of 410-2500nm for 75 samples of five different origins were collected. As a versatile chemometrics tool, bagging classification tree-radial basis function (BAGCT-RBFN), compared with classification tree (CT), radial basis function network (RBFN), was applied to discriminate Hangbaiju samples from different origins. The results showed that BAGCT-RBFN based on optimal wavelengths yielded superior classification performances to CT and RBFN with full wavelengths. The recognition rates (RR) of the training and prediction sets by BAGCT-RBFN were 96.0% and 92.0%, respectively. Hyperspectral imaging combined with chemometric can be considered as a powerful, feasible and convenient tool for the classification of Hangbaiju samples from different origins. It promises to be a potential way for origin discriminant analysis and quality monitor in food fields.
通讯机构：
[Guoqiang Feng] K;Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University, 152 Luoyu Road, Wuhan 430079, China
期刊：
Science of The Total Environment,2023年899:165626 ISSN：0048-9697
通讯作者：
Gao, Yang-Yang;Hao, GF;Wang, Q
作者机构：
[Li, Jian-Hong; Hao, Ge-Fei; Wen, Ting; Gao, Yang-Yang; Song, Bao-An] Guizhou Univ, Ctr Res & Dev Fine Chem, Natl Key Lab Green Pesticide, State Key Lab Breeding Base Green Pesticide & Agr, Guiyang 550025, Peoples R China.;[Hao, Ge-Fei] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.;[Wang, Q; Wang, Qi] Guizhou Univ, State Key Lab Publ Big Data, Guiyang 550025, Peoples R China.
通讯机构：
[Hao, GF ; Wang, Q ; Gao, YY] G;Guizhou Univ, Ctr Res & Dev Fine Chem, Natl Key Lab Green Pesticide, State Key Lab Breeding Base Green Pesticide & Agr, Guiyang 550025, Peoples R China.;Guizhou Univ, State Key Lab Publ Big Data, Guiyang 550025, Peoples R China.
摘要：
Plant phenotyping is important for plants to cope with environmental changes and ensure plant health. Imaging techniques are perceived as the most critical and reliable tools for studying plant phenotypes. Thermal imaging has opened up new opportunities for nondestructive imaging of plant phenotyping. However, a comprehensive summary of thermal imaging in plant phenotyping is still lacking. Here we discuss the progress and future prospects of thermal imaging for assessing plant growth and stress responses. First, we classify thermal imaging into ground-based and aerial platforms based on their adaptability to different experimental environments (including laboratory, greenhouse, and field). It is convenient to collect phenotypic information of different dimensions. Second, in order to enhance the efficiency of thermal image processing, automatic algorithms based on deep learning are employed instead of traditional manual methods, greatly reducing the time cost of experiments. Considering its ease of implementation, handling and instant response, thermal imaging has been widely used in research on environmental stress, crop yield, and seed vigor. We have found that thermal imaging can detect thermal energy dissipation caused by living organisms (e.g., pests, viruses, bacteria, fungi, and oomycetes), enabling early disease diagnosis. It also recognizes changes leaf surface temperatures resulting from reduced transpiration rates caused by nutrient deficiency, drought, salinity, or freezing. Furthermore, thermal imaging predicts crop yield under different water states and forecasts the viability of dormant seeds after water absorption by monitoring temperature changes in the seeds. This work will assist biologists and agronomists in studying plant phenotypes and serve a guide for breeders to develop high-yielding, stress-tolerant, and superior crops.
作者机构：
[Tian, Yupeng; Zhang, Qiong; Zhang, Lidi; Li, Shengli] Anhui Prov Key Lab Chem Inorgan Organ Hybrid Funct, Hefei 230039, Peoples R China.;[Ma, Shanheng] Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.;[Wang, Tao] Anhui Univ, Sch Life Sci, Hefei 230601, Peoples R China.;[Wang, Lianke; Zhang, Qiong; Li, Dandan] Anhui Univ, Key Lab Struct & Funct Regulat Hybrid Mat, Minist Educ, Hefei 230601, Anhui, Peoples R China.;[Tian, Yupeng; Zhang, Qiong] Nanjing Univ, State Key Lab Coordinat Chem, Nanjing 210093, Peoples R China.
通讯机构：
[Qiong Zhang] A;Anhui Province Key Laboratory of Chemistry for Inorganic/Organic Hybrid Functionalized Materials, Hefei 230039, P. R. China<&wdkj&>Key Laboratory of Structure and Functional Regulation of Hybrid Materials, Ministry of Education, Anhui University, Hefei 230601, P. R. China<&wdkj&>State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093, P. R. China
期刊：
JOURNAL OF MATERIALS CHEMISTRY B,2023年11(14):3038-3053 ISSN：2050-750X
通讯作者：
Xiaoxing Xiong<&wdkj&>Yao Sun<&wdkj&>Jong Seung Kim
作者机构：
[Tu, Le; Xiong, Xiaoxing; Qiu, Sheng] Zhejiang Univ, Affiliated Huzhou Hosp, Huzhou Cent Hosp, Dept Neurosurg,Sch Med, R China, Huzhou 313099, Peoples R China.;[Li, Junrong; Sun, Yao; Li, Qian; Tu, Le; Li, Meiqin] Cent China Normal Univ, Coll Chem, Key Lab Pesticides & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.;[Singh, Nem; Shin, Jinwoo; Kim, Jong Seung; Ding, Qihang] Korea Univ, Dept Chem, Seoul 02841, South Korea.;[Wu, Pan] Hubei Univ, Sch Life Sci, State Key Lab Biocatalysis & Enzyme Engn, Wuhan 430062, Peoples R China.;[Hu, Cong] Guilin Univ Elect Technol, Guangxi Key Lab Automat Detecting Technol & Instru, Guilin 541004, Peoples R China.
通讯机构：
[Xiaoxing Xiong; Jong Seung Kim] D;[Yao Sun] K;Department of Chemistry, Korea University, Seoul 02841, Korea<&wdkj&>Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, China<&wdkj&>Department of Neurosurgery, The Affiliated Huzhou Hospital, Zhejiang University School of Medicine (Huzhou Central Hospital), Huzhou 313099, P. R. China
摘要：
Recently, newly developed carbon-based nanomaterials known as carbon dots (CDs) have generated significant interest in nanomedicine. However, current knowledge regarding CD research in the biomedical field is still lacking. An overview of the most recent development of CDs in biomedical research is given in this review article. Several crucial CD applications, such as biosensing, bioimaging, cancer therapy, and antibacterial applications, are highlighted. Finally, CD-based biomedicine's challenges and future potential are also highlighted to enrich biomedical researchers' knowledge about the potential of CDs and the need for overcoming various technical obstacles.
作者机构：
[Feng, Guoqiang; Li, Qianhua; Gong, Shengyi; Feng, GQ; Zhu, Wenlong] Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent Biosensor Technol &, Natl Key Lab Green Pesticide, 152 Luoyu Rd, Wuhan 430079, Peoples R China.
通讯机构：
[Feng, GQ ] C;Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent Biosensor Technol &, Natl Key Lab Green Pesticide, 152 Luoyu Rd, Wuhan 430079, Peoples R China.
关键词：
Cancer cells;Cell membrane;Early tumor diagnosis;NIR fluorescent probe;Polarity
摘要：
The development of a sensitive method for early cancer diagnosis is very important because the early diagnosis of cancer is crucial in preventing the spread of cancer cells and improving patient survival rates. Recent studies showed that cancer cell membranes have lower polarity than normal cell membranes, which provides a new approach for cancer diagnosis at the cell membrane level. We developed herein a highly sensitive cell membrane polarity probe (<bold>Cal-M</bold>) for early diagnosis of cancer. This probe has low cytotoxicity, good photostability, near-infrared (NIR) fluorescence emission (>700 nm), large Stokes shift, high sensitivity for polarity, excellent cell membrane localization performance, and the ability to selectively light up cancer cells. Using this probe staining, the fluorescence of cancer cells is & SIM;63 times higher than that of normal cells, demonstrating excellent sensitivity and selectivity of <bold>Cal-M</bold>. This probe was also successfully used to detect polarity changes on cancer cell membranes and selectively visualize tumors in mice. Notably, the tumor could be visualized sensitively with a size as small as 1.37 mm(3), indicating that <bold>Cal-M</bold> is promising for early diagnosis of tumors.
通讯作者：
Sun, Yao(sunyaogbasp@ccnu.edu.cn);Seung Kim, Jong(jongskim@korea.ac.kr)
作者机构：
[Tu, Le; Mei, Longcan; Li, Junrong; Sun, Yao; Li, Chonglu] Cent China Normal Univ, Coll Chem, Natl Key Lab Green Pesticide, Wuhan 430079, Peoples R China.;[Xiong, Xiaoxing] Wuhan Univ, Dept Neurosurg, Renmin Hosp, Wuhan 430060, Peoples R China.;[Kim, Jong Seung; Kim, Ji Hyeon] Korea Univ, Dept Chem, Seoul 02841, South Korea.;[Li, Qian] Qingdao Univ Sci & Technol, Key Lab Opt Elect Sensing & Analyt Chem Life Sci, Qingdao 266100, Peoples R China.;[Liu, Shuang] Wuhan Univ Technol, Sch Mat Sci & Engn, Wuhan 430070, Peoples R China.
通讯机构：
[Prof. Jong Seung Kim] D;[Prof. Yao Sun] N;National Key Laboratory of Green Pesticide, College of Chemistry, Central China Normal University, Wuhan, 430079 China<&wdkj&>Department of Chemistry, Korea University, Seoul, 02841 Korea
摘要：
Although metallacycle‐based supramolecular photosensitizers (PSs) attracted increasing attention in biomedicine, their clinical translation is still hindered by their inherent dark toxicity. Herein, we report what to our knowledge is the first example of a molecular engineering approach to building blocks of metallacycles for constructing a series of supramolecular PSs (RuA–RuD), with the aim of simultaneously reducing dark toxicity and enhancing phototoxicity, and consequently obtaining high phototoxicity indexes (PI). Detailed in vitro investigations demonstrate that RuA–RuD displays high cancer cellular uptake and remarkable antitumor activity even under hypoxic conditions. Notably, RuD exhibited no dark toxicity and displayed the highest PI value (~406). Theoretical calculations verified that RuD has the largest steric hindrance and the lowest singlet‐triplet energy gap (ΔEST, 0.61 eV). Further in vivo studies confirmed that RuD allows for safe and effective phototherapy against A549 tumors.
作者机构：
[Li, Junrong; Guan, Rui] Cent China Normal Univ, Coll Chem, Natl Key Lab Green Pesticide, Wuhan 430072, Peoples R China.;[Yu, Q; Yu, Qi] Hubei Univ Technol, Natl Ctr Cellular Regulat & Mol Pharmaceut 111, Sch Food & Biol Engn, Key Lab Fermentat Engn,Minist Educ, Wuhan 430068, Peoples R China.
通讯机构：
[Li, JR ] C;[Yu, Q ] H;Cent China Normal Univ, Coll Chem, Natl Key Lab Green Pesticide, Wuhan 430072, Peoples R China.;Hubei Univ Technol, Natl Ctr Cellular Regulat & Mol Pharmaceut 111, Sch Food & Biol Engn, Key Lab Fermentat Engn,Minist Educ, Wuhan 430068, Peoples R China.
关键词：
Aggregation-induced emission;Assembly;Cancer diagnosis;Circulating cancer biomarker;Early detection;Surface-enhanced Raman scattering
摘要：
The implementation of early cancer detection benefits the treatment outcomes with remarkably improved survival rate through the detection of rare circulating biomarkers in body fluids. Spectroscopic technologies play a crucial role in sensitive biomarker measurements by outputting extremely strong signals. In particular, the aggregation enhanced fluorescence and Raman technologies feature the detection of targets down to single-molecule level, thereby demonstrating the great promise of early cancer detection. In this review, we focus on the aggregation-induced emission (AIE) and aggregation-related surface-enhanced Raman scattering (SERS) spectroscopic strategies for detecting cancer biomarkers. We discuss the AIE and SERS based biomarker detection using target-driven aggregation as well as the aggregated nanoprobes. Furthermore, we deliberate on the progress of developing AIE and SERS integrated platforms. Ultimately, we put forth the potential challenges and perspectives on the way to use these two spectroscopic technologies in clinical settings. It is expected this review can inspire the design of AIE and SERS integrated platform for highly sensitive and accurate cancer detection.
期刊：
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,2023年71(1):52-64 ISSN：0021-8561
通讯作者：
Ge-Fei Hao<&wdkj&>Guang-Fu Yang
作者机构：
[Sun, Hao-Han; Yang, Guang-Fu; Wang, Zhi-Zheng; Hao, Ge-Fei] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.;[Gao, Yang-Yang; Hao, Ge-Fei] Guizhou Univ, Res & Dev Ctr Fine Chem, State Key Lab Breeding Base Green Pesticide & Agr, Key Lab Green Pesticide & Agr Bioengn,Minist Educ, Guiyang 550025, Peoples R China.
通讯机构：
[Ge-Fei Hao; Guang-Fu Yang] K;Key Laboratory of Pesticide and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People’s Republic of China<&wdkj&>State Key Laboratory Breeding Base of Green Pesticide and Agricultural Bioengineering, Key Laboratory of Green Pesticide and Agricultural Bioengineering, Ministry of Education, Research and Development Center for Fine Chemicals, Guizhou University, Guiyang 550025, People’s Republic of China<&wdkj&>Key Laboratory of Pesticide and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People’s Republic of China
关键词：
protein kinases;targetability;antifungals;stress tolerance;plant immunity;agrochemicals discovery
摘要：
Using agrochemicals against pest insects, fungi, and weeds plays a major part in maintaining and improving crop yields, which helps to solve the issue of food security. Due to the limited targets and resistance of agrochemicals, protein kinases are regarded as attractive potential targets to develop new agrochemicals. Recently, a lot of investigations have shown the extension of agrochemicals by targeting protein kinases, implying an increasing concern for this kind of method. However, few people have summarized and discussed the targetability of protein kinases contributing to the development of agrochemicals. In this work, we introduce the research on protein kinases as potential targets used in crop protection and discuss the prospects of protein kinases in the field of agrochemical development. This study may not only provide guidance for the contribution of protein kinases to the development of agrochemicals but also help nonprofessionals such as students learn and understand the role of protein kinases quickly.
摘要：
Cyanobacterial fructose-1,6-/sedoheptulose-1,7-bisphosphatase (Cy-FBP/SBPase) was an important regulatory enzyme in cyanobacterial photosynthesis and was a potential target enzyme for screening to obtain novel inhibitors against cyanobacterial blooms. In this study, we developed a novel pharmacophore screening model based on the catalytic mechanism and substrate structure of Cy-FBP/SBPase and screened 26 S series compounds with different structures and pharmacophore characteristics from the Specs database by computer-assisted drug screening. These compounds exhibited moderate inhibitory activity against Cy-FBP/SBPase, with 9 compounds inhibiting >50% at 100 μM. Among them, compound S5 showed excellent inhibitory activity against both Cy-FBP/SBPase and Synechocystis sp. PCC6803 (IC(50) = 6.7 ± 0.7 μM and EC(50) = 7.7 ± 1.4 μM). The binding mode of compound S5 to Cy-FBP/SBPase was predicted using the molecular docking theory and validated by sentinel mutation and enzyme activity analysis. Physiochemical, gene transcription level, and metabolomic analyses showed that compound S5 significantly reduced the quantum yield of photosystem II and the maximum electron transfer rate, downregulated transcript levels of related genes encoding the Calvin cycle and photosystem, reduced the photosynthetic efficiency of cyanobacteria, thus inhibited metabolic pathways, such as the Calvin cycle and tricarboxylic acid cycle, and eventually achieved an efficient algicide. In addition, compound S5 had a high safety profile for human-derived cells and zebrafish. In summary, the novel pharmacophore screening model obtained from the current work provides an effective solution to the cyanobacterial bloom problem.
作者机构：
[Yang, Wenchao; Ding, Wenping; Liu, Wen] Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent Biosensor Technol &, Key Lab Pesticide & Chem Biol,Minist Educ, Wuhan 430079, Peoples R China.;[Tang, Zhijun; Du, Yanan; Qiu, Yanping; Pan, Lifeng; Li, Huayu; Ding, Wenping; Liu, Wen; Tang, ZJ; Li, Miao] Univ Chinese Acad Sci, Shanghai Inst Organ Chem, Ctr Excellence Mol Synth, State Key Lab Bioorgan & Nat Prod Chem, Shanghai 200032, Peoples R China.;[Zhang, Xingang; Zhou, Minqi] Univ Chinese Acad Sci, Shanghai Inst Organ Chem, Key Lab Organofluorine Chem, Shanghai 200032, Peoples R China.;[Yin, Yu] Shanghai Jiao Tong Univ, Sch Pharm, Shanghai 200240, Peoples R China.
通讯机构：
[Du, YA; Zhang, XA ; Tang, ZJ] U;[Liu, W ] C;Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent Biosensor Technol &, Key Lab Pesticide & Chem Biol,Minist Educ, Wuhan 430079, Peoples R China.;Univ Chinese Acad Sci, Shanghai Inst Organ Chem, Key Lab Organofluorine Chem, Shanghai 200032, Peoples R China.;Univ Chinese Acad Sci, Shanghai Inst Organ Chem, Ctr Excellence Mol Synth, State Key Lab Bioorgan & Nat Prod Chem, Shanghai 200032, Peoples R China.
摘要：
Modification of organic molecules with fluorine functionalities offers a critical approach to develop new pharmaceuticals. Here, we report a multienzyme strategy for biocatalytic fluoroalkylation using S-adenosyl-l-methionine (SAM)-dependent methyltransferases (MTs) and fluorinated SAM cofactors prepared from ATP and fluorinated l-methionine analogues by an engineered human methionine adenosyltransferase hMAT2A(I322A). This work introduces the first example of biocatalytic 3,3-difluoroallylation. Importantly, this strategy can be applied to late-stage site-selective fluoroalkylation of complex molecule vancomycin with conversions up to 99%.
期刊：
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,2023年71(2):1170-1177 ISSN：0021-8561
通讯作者：
Hong-Yan Lin<&wdkj&>Guang-Fu Yang
作者机构：
[Yang, Guang-Fu; Yu, Xin-He; Yang, Wen-Chao; Nan, Jia-Xu; Dong, Jin; Yan, Yao-Chao; Lin, Hong-Yan; Ye, Bao-Qin; Dong, Jiangqing] Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent Biosensor Technol &, Key Lab Pesticide & Chem Biol,Minist Educ, Wuhan 430079, Peoples R China.;[Dong, Jiangqing] Chime Biol Ltd, 388 Gaoxin Rd, 2 East Lake Hitech Dev Zone, Wuhan, Peoples R China.
通讯机构：
[Hong-Yan Lin; Guang-Fu Yang] K;Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, International Joint Research Center for Intelligent Biosensor Technology and Health, College of Chemistry, Central China Normal University, Wuhan 430079, P.R. China
摘要：
High-potency 4-hydroxyphenylpyruvate dioxygenase (HPPD) inhibitors are usually featured by time-dependent inhibition. However, the molecular mechanism underlying time-dependent inhibition by HPPD inhibitors has not been fully elucidated. Here, based on the determination of the HPPD binding mode of natural products, the π-π sandwich stacking interaction was found to be a critical element determining time-dependent inhibition. This result implied that, for the time-dependent inhibitors, strengthening the π-π sandwich stacking interaction might improve their inhibitory efficacy. Consequently, modification with one methyl group on the bicyclic ring of quinazolindione inhibitors was achieved, thereby strengthening the stacking interaction and significantly improving the inhibitory efficacy. Further introduction of bulkier hydrophobic substituents with higher flexibility resulted in a series of HPPD inhibitors with outstanding subnanomolar potency. Exploration of the time-dependent inhibition mechanism and molecular design based on the exploration results are very successful cases of structure-based rational design and provide a guiding reference for future development of HPPD inhibitors.
摘要：
Decabromodiphenyl ethane (DBDPE) as the most widely used novel brominated flame retardants (NBFRs), has become a ubiquitous emerging pollutant in the environment. However, its toxic effects on vegetable growth during agricultural production have not been reported. In this study, we investigated the response mechanisms of hydroponic lettuce to DBDPE accumulation, antioxidant stress, cell structure damage, and metabolic pathways after exposure to DBDPE. The concentration of DBDPE in the root of lettuce was significantly higher than that in the aboveground part. DBDPE induced oxidative stress on lettuce, which stimulated the defense of the antioxidative system of lettuce cells, and the cell structure produced slight plasma-wall separation. In terms of metabolism, metabolic pathway disorders were caused, which are mainly manifested as inhibiting amino acid biosynthesis and metabolism-related pathways, interfering with the biosyntheses of amino acids, organic acids, fatty acids, carbohydrates, and other substances, and ultimately manifested as decreased total chlorophyll content and root activity. In turn, metabolic regulation alleviated antioxidant stress. The mechanisms of the antioxidative reaction of lettuce to DBDPE were elucidated by IBR, PLS-PM analysis, and molecular docking. Our results provide a theoretical basis and research necessity for the evaluation of emerging pollutants in agricultural production and the safety of vegetables.
作者机构：
[Ruan, Mei-Ling] Cent China Normal Univ, Coll Chem, Natl Key Lab Green Pesticide, Wuhan 430079, Peoples R China.;[Che, Chi-Ming; Hu, Di; Lok, Chun-Nam; Zhang, Chunlei; Ruan, Mei-Ling] Univ Hong Kong, State Key Lab Synthet Chem, Pokfulam Rd, Hong Kong, Peoples R China.;[Che, Chi-Ming; Hu, Di; Lok, Chun-Nam; Zhang, Chunlei; Ruan, Mei-Ling] Univ Hong Kong, Dept Chem, P, R China, Pokfulam Rd, Hong Kong, Peoples R China.;[Che, Chi-Ming; Hu, Di; Lok, Chun-Nam; Zhang, Chunlei; Ruan, Mei-Ling] Lab Synthet Chem, Hong Kong Sci Pk, Hong Kong, Peoples R China.;[Che, Chi-Ming; Hu, Di; Lok, Chun-Nam; Zhang, Chunlei; Ruan, Mei-Ling] Chem Biol Ltd, Hong Kong Sci Pk, Hong Kong, Peoples R China.
通讯机构：
[Chun-Nam Lok; Chi-Ming Che] S;State Key Laboratory of Synthetic Chemistry, and Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, P. R. China<&wdkj&>Laboratory for Synthetic Chemistry and Chemical Biology Limited, Hong Kong Science Park, Shatin, Hong Kong, P. R. China<&wdkj&>Department of Chemistry, Southern University of Science and Technology, Shenzhen, Guangdong, P. R. China<&wdkj&>State Key Laboratory of Synthetic Chemistry, and Department of Chemistry, The University of Hong Kong, Pokfulam Road, Hong Kong, P. R. China<&wdkj&>Laboratory for Synthetic Chemistry and Chemical Biology Limited, Hong Kong Science Park, Shatin, Hong Kong, P. R. China
摘要：
Dihydroartemisinin non-covalently binds liver fatty acid binding protein (FABP1) with micromolar affinity, acts as a FABP1-dependent peroxisome proliferator-activated receptor alpha agonist and inhibits metastatic hepatocellular carcinoma growth.
作者机构：
[Feng, Guoqiang; Hong, Jiaxin; Gong, Shengyi; Li, Qianhua; Feng, GQ; Jiang, Siyu] Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent BiosensorTechnol & H, Natl Key Lab Green Pesticide, Green Pesticide, 152 Luoyu Rd, Wuhan 430079, Peoples R China.
通讯机构：
[Feng, GQ ] C;Cent China Normal Univ, Coll Chem, Int Joint Res Ctr Intelligent BiosensorTechnol & H, Natl Key Lab Green Pesticide, Green Pesticide, 152 Luoyu Rd, Wuhan 430079, Peoples R China.
摘要：
With the widespread use of drugs, drug-induced acute kidney injury (AKI) has become an increasingly serious health concern worldwide. Currently, early diagnosis of drug-induced AKI remains challenging because of the lack of effective biomarkers and noninvasive imaging tools. SO(2) plays important physiological roles in living systems and is an important antioxidant for maintaining redox homeostasis. However, the relationship between SO(2) (in water as SO(3)(2-)/HSO(3)(-)) and drug-induced AKI remains largely unknown. Herein, we report the highly sensitive near-infrared fluorescence probe DSMN, which for the first time reveals the relationship between SO(2) and drug-induced AKI. The probe responds to SO(3)(2-)/HSO(3)(-) selectively and rapidly (within seconds) and shows a significant turn-on fluorescence at 710 nm with a large Stokes shift (125 nm). With these properties, the probe was successfully applied to detect SO(2) in living cells and mice. Importantly, the probe can selectively target the kidneys, allowing for the detection of changes in the SO(2) concentration in the kidneys. Based on this, DSMN was successfully used to detect cisplatin-induced AKI and revealed an increase in the SO(2) levels. The results indicate that SO(2) is a new biomarker for AKI and that DSMN is a powerful tool for studying and diagnosing drug-induced AKI.
摘要：
Ten previously unreported eremophilane lactones (parasalbolides A-J), including three pairs of C-10 epimers (parasalbolides A and G, B and H, and F and I, respectively), were isolated and identified from the whole plant of Parasenecio albus. Their structures were established on the basis of the HRESIMS and NMR spectroscopic analyses, combined with the comparison of the ECD spectra. The absolute configuration of parasalbolide A was confirmed by single-crystal X-ray diffraction using Cu Kα radiation. Parasalbolides A-J represent the first examples of 1,2,10-trioxygenated eremophila-7(11),8-dien-12,8-olides. The cytotoxic and immunosuppressive activities of selected isolates were evaluated and the (10S)-eremophilane lactones (parasalbolides A, B, and F) showed more potent activities than the (10R)-ones (parasalbolides G, H, and I).
作者机构：
[Yang, Guang-Fu; Wang, Zhi-Zheng; Yang, GF; Shi, Xing-Xing; Wang, Fan; Hao, Ge-Fei] Cent China Normal Univ, Natl Key Lab Green Pesticide, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
通讯机构：
[Yang, GF ; Hao, GF] C;Cent China Normal Univ, Natl Key Lab Green Pesticide, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
摘要：
Drug discovery, which plays a vital role in maintaining human health, is a persistent challenge. Fragment-based drug discovery (FBDD) is one of the strategies for the discovery of novel candidate compounds. Computational tools in FBDD could help to identify potential drug leads in a cost-efficient and time-saving manner. The Auto Core Fragment in silico Screening (ACFIS) server is a well-established and effective online tool for FBDD. However, the accurate prediction of protein-fragment binding mode and affinity is still a major challenge for FBDD due to weak binding affinity. Here, we present an updated version (ACFIS 2.0), that incorporates a dynamic fragment growing strategy to consider protein flexibility. The major improvements of ACFIS 2.0 include (i) increased accuracy of hit compound identification (from 75.4% to 88.5% using the same test set), (ii) improved rationality of the protein-fragment binding mode, (iii) increased structural diversity due to expanded fragment libraries and (iv) inclusion of more comprehensive functionality for predicting molecular properties. Three successful cases of drug lead discovery using ACFIS 2.0 are described, including drugs leads to treat Parkinson's disease, cancer, and major depressive disorder. These cases demonstrate the utility of this web-based server. ACFIS 2.0 is freely available at http://chemyang.ccnu.edu.cn/ccb/server/ACFIS2/.
ACFIS 2.0 is a one-stop platform for fragment-based drug design, aiming to help users obtain novel ligand structures for specific protein targets.
