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Photoacoustic imaging-guided chemo-photothermal combinational therapy based on emissive Pt(Ⅱ)metallacycle-loaded biomimic melanin dots

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Science China Chemistry 2021年第1期64卷 134-142页

作者： Chonglu Li Pei-Pei Jia Yu-Ling Xu Feng Ding Wen-Chao yang Yao Sun Xiao-Peng Li guang-Qiang Yin Lin Xu guang-fu yang Key Laboratory of Pesticide&Chemical Biology Ministry of EducationCollege of ChemistryCentral China Normal UniversityWuhan 430079China Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular EngineeringEast China Normal University.Shanghai 200062China Department of Chemistry University of South FloridaTampa 33620USA

Pt(Ⅱ)-based metallacycles,as an important family of supramolecular coordination complexes(SCCs),have exhibited excellent antitumor activity at the cell ***,the biomedical applications of Pt(Ⅱ)-based metallacycles for animal studies are still hindered by their poor stability,non-targeted tumour,and lack of detectable feedback for evaluating therapeutic ***,we propose a strategy that introduces melanin dots as a biomedical platform to load bright-emission Pt(Ⅱ)-based metallacycles,thereby constructing a theranostic agent that enables photoacoustic imaging(PAI)-guided chemo-photothermal combinational *** dots act as a protective carrier to preserve the integrity of Pt(Ⅱ)-based metallacycles before uptake by tumour ***,the PAI signal from melanin dots furnishes more comprehensive information on the ***,the heat generated after NIR laser irradiation can not only trigger the apoptosis of tumour cells but also promote the deeper penetration of Pt(Ⅱ)-based SCCs into tumour tissue,thus enhancing the efficiency of chemotherapy.

关键词： metallacycles supramolecular coordination complexes chemo-photothermal therapy photoacoustic imaging melanin dots

Distribution- and Metabolism-Based Drug Discovery: A Potassium-Competitive Acid Blocker as a Proof of Concept

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Research 2022年第4期2022卷 609-620页

作者： Ming-Shu Wang Yi Gong Lin-Sheng Zhuo Xing-Xing Shi Yan-guang Tian Chang-Kang Huang Wei Huang guang-fu yang Key Laboratory of Pesticide e Chemical Biology of Ministry of Education International Joint Research Center for Intelligent Biosensor Technology and HealthCollege of ChemistryCentral China Normal UniversityWuhan 430079China Nanjing Shuohui Pharmatechnology Co. Ltd.Nanjing 210046China

Conventional methods of drug design require compromise in the form of side effects to achieve sufficient efficacy because targeting drugs to specific organs remains ***,new strategies to design organ-specific drugs that induce little toxicity are *** on characteristic tissue niche-mediated drug distribution(TNMDD)and patterns of drug metabolism into specific intermediates,we propose a strategy of distribution-and metabolism-based drug design(DMBDD);through a physicochemical property-driven distribution optimization cooperated with a well-designed metabolism pathway,SH-337,a candidate potassium-competitive acid blocker(P-CAB),was ***-337 showed specific distribution in the stomach in the long term and was rapidly cleared from the systemic ***,SH-337 exerted a comparable pharmacological effect but a 3.3-fold higher no observed adverse effect level(NOAEL)compared with FDA-approved *** study contributes a proof-of-concept demonstration of DMBDD and provides a new perspective for the development of highly efficient,organ-specific drugs with low toxicity.

关键词： drugs organs Potassium

Stereochemistry of Thionation Reaction of 1,3,2-Dioxaphosphorinan-2-ones with Lawessen's Reagent

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Chinese Chemical Letters 1997年第4期8卷 269-270页

作者： Rui Lian SHAO Wei Shi MIAO guang fu yang(Institute of Elemento-Orgamc Chemistry, Nankai University, Tianin, 300071) NANKAI UNIV INST ELEMENTOORGAN CHEMTIANJIN 300071PEOPLES R CHINA

The stereochemistry of thionation reaction of 2 -substituted 4 -aryl- 5, 5 dimethyl - 1. 3. 2 -dioxaphosphorian-ones 1a-r with Lautssen's reagent (LR ) was reported in this paPer. The results indicated that the thionation reaction of LR proceeded predominantly with retention of *** mechanism leading to retention was proposed by assuming a cyclic pentacoordinated intermidiate.

关键词： ppm

Stereoselective Synthesis of 2-Chloro-4-Substituted-phenyl-5,5-Dimethyl-1,3,2-Dioxaphosphorinan-2-(Thi)ones

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Chinese Chemical Letters 1997年第10期8卷 855-858页

作者： Rui Lian SHAO guang fu yang Wei Shi MIAO Min Hua yang(National Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin, 300071) NANKAI UNIV NATL KEY LAB ELEMENTOORGAN CHEMTIANJIN 300071PEOPLES R CHINA

The stereoselective synthesis of 2-chloro-4-substituted-phenyl-5,5-dimethyl-1,3,2-dioxaphosphorinan-2-(thi)ones is described. Only single trans-isomers were obtained when 1-substituted-phenyl-2,2-dimethyl-1,3-propanediols (1) reacted with POCl3. But the stereoselectivity of cyclization reaction between (1) and PSCl3 depended greatly upon the reaction condition. The configurational assignments and the ratio of cis-/trans- diastereoisomers of the products were performed on the basis of (HNMR)-H-1, (PNMR)-P-31 and IR spectra and confirmed by X-ray diffraction analyses.

关键词： HNMR Cl Stereoselective Synthesis of 2-Chloro-4-Substituted-phenyl-5,5-Dimethyl-1,3,2-Dioxaphosphorinan-2 Thi)ones

Chitin synthase:A potential agricultural and therapeutic target

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Advanced Agrochem

Advanced Agrochem 2022年第2期1卷 87-88页

作者： Ying Ye Ze-Wei Guan Xiao-Lei Zhu guang-fu yang Key Laboratory of Pesticide&Chemical Biology of Ministry of Education International Joint Research Center for Intelligent Biosensor Technology and Health of Ministry of Science and TechnologyCentral China Normal UniversityWuhan430079PR China College of Chemistry Central China Normal UniversityLuoyu Road 152Wuhan430079PR China

Chitin synthase(CHS)is a potential agricultural and therapeutic ***,the crystal structures of CHS from Phytophthora sojae(PsChs1)and Candida albicans(CaChs2)were ***,we highlight the achievements of PsChs1 and CaChs2,... 详细信息

关键词： Chitin Chitin synthase Nikkomycin Z Membrane protein UDP

Pesticide research and development at Central China Normal University:Past,present and future

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Advanced Agrochem

Advanced Agrochem 2022年第2期1卷 85-86页

作者： guang-fu yang Key Laboratory of Pesticide and Chemical Biology of Ministry of Education Intermational Joint Research Center for Intelligent Biosensing Technology and HealthCentral China Normal UniversityWuhan430079 PR China

In 1958,*** Zhang was sent to the former Union of Soviet Soci alist Republics tostudy at KazanState Chemical Technological *** PhD supervisor was Professor Arbuzov,one of the best known organ-ophosphorus chemists in the *** receiving his doctoral degree in 1962,Jingling Zhang returned to China and established Organophosphorus Chenistry Laboratory in Central China Normal University(CCNU).At that time,organochlorine pesticides were widely used in agricultural production.

关键词： Pesticide Central pesticides

AquaticTox:A Web-Based Tool for Aquatic Toxicity Evaluation Based on Ensemble Learning to Facilitate the Screening of Green Chemicals

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Environment & Health 2024年第4期2卷 202-211页

作者： Xing-Xing Shi Zhi-Zheng Wang Yu-Liang Wang Fan Wang guang-fu yang National Key Laboratory of Green Pesticide Central China Normal UniversityWuhan 430079China

The widespread use of chemical products inevitably brings many side effects as environmental *** assessment of compounds to aquatic life plays an important role in protecting the environment from their ***,in vivo animal testing approaches for aquatic toxicity evaluation are timeconsuming,expensive,and ethically limited,especially when there are a great number of *** silico modeling methods can effectively improve the toxicity evaluation efficiency and save ***,we present a web-based server,AquaticTox,which incorporates a series of ensemble models to predict acute toxicity of organic compounds in aquatic organisms,covering Oncorhynchus mykiss,Pimephales promelas,Daphnia magna,Pseudokirchneriella subcapitata,and Tetrahymena *** predictive models are built through ensemble learning algorithms based on six base *** ensemble models outperform all corresponding single models,achieving area under the curve(AUC)scores of 0.75−*** to the best single models,the average precisions of the ensemble models have been increased by 12−22%.Additionally,a self-built knowledge base of the structure-aquatic toxic mode of action(MOA)relationship was integrated into AquaticTox for toxicity mechanism ***,the user-friendly tool(https://***/ccb/server/AquaticTox);could facilitate the identification of aquatic toxic chemicals and the design of green molecules.

关键词： ecotoxicity aquatic toxicity water environment protection toxicity prediction structure−toxicity relationship deep learning

Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery

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Research 2019年第1期2019卷 795-805页

作者： Hong-Yan Lin Xi Chen Jia-Nan Chen Da-Wei Wang Feng-Xu Wu Song-Yun Lin Chang-Guo Zhan Jia-Wei Wu Wen-Chao yang guang-fu yang Key Laboratory of Pesticide&Chemical Biology of Ministry of Education International Joint Research Center for Intelligent Biosensor Technology and HealthCollege of ChemistryChemical Biology CenterCentral China Normal UniversityWuhan 430079China MOE Key Laboratory of Protein Sciences Tsinghua-Peking Center for Life SciencesSchool of Life SciencesTsinghua UniversityBeijing 100084China College of Chemistry and Material Science South-Central University for NationalitiesWuhan 430074China Department of Pharmaceutical Sciences College of PharmacyUniversity of Kentucky789 South Limestone StreetLexingtonKY 40536USA Collaborative Innovation Center of Chemical Science and Engineering Tianjin 30071China

4-Hydroxyphenylpyruvate dioxygenase(HPPD)is a promising target for drug and pesticide *** unknown binding mode of substrate is still a big challenge for the understanding of enzymatic reaction mechanism and novel HPPD inhibitor ***,we determined the frst crystal structure of Arabidopsis thaliana HPPD(AtHPPD)in complex with its natural substrate(HPPA)at a resolution of 2.80˚***,combination of hybrid quantum mechanics/molecular mechanics(QM/MM)calculations confrmed that HPPA takes keto rather than enol form inside the HPPD active *** site-directed mutagenesis and kinetic analysis further showed that residues(Phe424,Asn423,Glu394,Gln307,Asn282,and Ser267)played important roles in substrate binding and catalytic *** comparison between HPPA-AtHPPD and holo-AtHPPD revealed that Gln293 underwent a remarkable rotation upon the HPPA binding and formed H-bond network of Ser267-Asn282-Gln307-Gln293,resulting in the transformation of HPPD from an inactive state to active ***,taking the conformation change of Gln293 as a target,we proposed a new strategy of blocking the transformation of HPPD from inactive state to active state to design a novel inhibitor with K_(i) value of 24.10 nM towards *** inhibitor has entered into industry development as the frst selective herbicide used for the weed control in sorghum *** crystal structure of AtHPPD in complex with the inhibitor(2.40˚A)confrmed the rationality of the design *** believe that the present work provides a new starting point for the understanding of enzymatic reaction mechanism and the design of next generation HPPD inhibitors.

关键词： Crystal Complex inactive

Design of an HPPD fluorescent probe and visualization of plant responses to abiotic stress

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Advanced Agrochem

Advanced Agrochem 2022年第1期1卷 73-84页

作者： Xiaoyan Zeng Yurou Huang Jing Dong Xiaoxie Ma Jia-Xu Nan Weijie Chen Hong-Yan Lin Wen-Chao yang Xiaogang Liu Jun Yin guang-fu yang Key Laboratory of Pesticide and Chemical Biology(Ministry of Education) Hubei International Scientific and Technological Cooperation Base of Pesticide and Green SynthesisInternational Joint Research Center for Intelligent Biosensing Technology and HealthCollege of ChemistryCentral China Normal UniversityWuhan430079PR China Fluorescence Research Group Singapore University of Technology and Design8 Somapah Road487372SingaporeSingapore

The upregulation of 4-hydroxyphenylpyruvate dioxygenase(HPPD)can protect plants from adverse abiotic ***,studying the changes of HPPD under abiotic stress is extremely *** this study,we employed a rational molecular design strategy to prepare an HPPD-responsive fluorescent probe consisting of a pyrene fluorophore,a linker and a benquitrione skeleton recognition moiety that functions via an aggregation–disaggregation sensing *** predicted,this probe exhibited an obvious turn-on fluorescence response towards *** addition,in vivo imaging demonstrated the excellent capability of this probe to track HPPD in Arabidopsis thaliana,and the dynamic changes in HPPD were monitored under different stress degrees of high temperature and Cadmium(II)ion(Cd^(2+))*** work provides an efficient design strategy for acquiring a noninvasive HPPD fluorescence probe,which could evaluate the degree of stress and be further employed for exploring the stress resistance mechanism in plants.

关键词： 4-Hydroxyphenylpyruvate dioxygenase(HPPD) Fluorescent probe Plant imaging Abiotic stresses