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A novel marine-derived anti-acute kidney injury agent targeting peroxiredoxin 1 and its nanodelivery strategy based on ADME optimization

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Acta Pharmaceutica Sinica B 2024年第7期14卷 3232-3250页

作者： Ping Yu Tanwei Gu Yueyang Rao Weimin Liang Xi Zhang Huanguo Jiang Jindi Lu Jianglian She Jianmin Guo Wei Yang Yonghong Liu Yingfeng Tu Lan Tang Xuefeng Zhou guangdong Provincial Key Laboratory of New drug Screening Guangdong-Hong Kong-Macao Joint Laboratory for New Drug ScreeningSchool of Pharmaceutical SciencesSouthern Medical UniversityGuangzhou 510515China CAS Key Laboratory of Tropical Marine Bio-Resources and Ecology Guangdong Key Laboratory of Marine Materia MedicaSouth China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China NMPA Key Laboratory for research and Evaluation of drug Metabolism School of Pharmaceutical SciencesSouthern Medical UniversityGuangzhou 510515China guangdong Lewwin Pharmaceutical research Institute Co. Ltd.Guangdong Provincial Key Laboratory of Drug Non-Clinical Evaluation and ResearchGuangdong Engineering Research Center for Innovative Drug Evaluation and ResearchGuangzhou 510990China

Insufficient therapeutic strategies for acute kidney injury(AKI)necessitate precision therapy targeting its *** study reveals the new mechanism of the marine-derived anti-AKI agent,piericidin glycoside S14,targeting peroxiredoxin 1(PRDX1).By binding to Cys83 of PRDX1 and augmenting its peroxidase activity,S14 alleviates kidney injury efficiently in Prdx1-overexpression(Prdx1-OE)***,S14 also increases PRDX1 nuclear translocation and directly activates the Nrf2/HO-1/NQO1 pathway to inhibit ROS *** to the limited druggability of S14 with low bioavailability(2.6%)and poor renal distribution,a pH-sensitive kidney-targeting dodecanaminechitosan nanoparticle system is constructed to load S14 for precise treatment of AKI.L-Serine conjugation to chitosan imparts specificity to kidney injury molecule-1(Kim-1)-overexpressed *** developed S14-nanodrug exhibits higher therapeutic efficiency by improving the in vivo behavior of S14 *** encapsulation with micelles,the AUC_(0-t),half-life time,and renal distribution of S14 increase 2.5-,1.8-,and 3.1-fold,*** main factors contributing to the improved druggability of S14 nanodrugs include the lower metabolic elimination rate and UDPglycosyltransferase(UGT)-mediated *** summary,this study identifies a new therapeutic target for the marine-derived anti-AKI agent while enhancing its ADME properties and druggability through nanotechnology,thereby driving advancements in marine drug development for AKI.

关键词： Acute kidney injury Piericidin glycoside Peroxiredoxin 1 Nanodrug Kim-1 targeted ADME Marine drug druggability

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A Transformer-Based Ensemble Framework for the Prediction of Protein-Protein Interaction Sites

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research 2024年第2期2023卷 703-718页

作者： Minjie Mou Ziqi Pan Zhimeng Zhou Lingyan Zheng Hanyu Zhang Shuiyang Shi Fengcheng Li Xiuna Sun Feng Zhu College of Pharmaceutical Sciences The Second Affliated HospitalZhejiang University School of MedicineNational Key Laboratory of Advanced Drug Delivery and Release SystemsZhejiang UniversityHangzhou 310058China Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University Alibaba-Zhejiang University Joint Research Center of Future Digital HealthcareHangzhou 330110China

The identification of protein-protein interaction (PPI) sites is essential in the research of protein function and the discovery of new drugs. So far, a variety of computational tools based on machine learning have been developed to accelerate the identification of PPI sites. However, existing methods suffer from the low predictive accuracy or the limited scope of application. Specifically, some methods learned only global or local sequential features, leading to low predictive accuracy, while others achieved improved performance by extracting residue interactions from structures but were limited in their application scope for the serious dependence on precise structure information. There is an urgent need to develop a method that integrates comprehensive information to realize proteome-wide accurate profiling of PPI sites. Herein, a novel ensemble framework for PPI sites prediction, EnsemPPIS, was therefore proposed based on transformer and gated convolutional networks. EnsemPPIS can effectively capture not only global and local patterns but also residue interactions. Specifically, EnsemPPIS was unique in (a) extracting residue interactions from protein sequences with transformer and (b) further integrating global and local sequential features with the ensemble learning strategy. Compared with various existing methods, EnsemPPIS exhibited either superior performance or broader applicability on multiple PPI sites prediction tasks. Moreover, pattern analysis based on the interpretability of EnsemPPIS demonstrated that EnsemPPIS was fully capable of learning residue interactions within the local structure of PPI sites using only sequence information. The web server of EnsemPPIS is freely available at http://***/ensemppis.

关键词： residue extracting ensemble

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Multi-omics Approach Reveals Influenza-A Virus Target Genes Associated Genomic,Clinical and Immunological Characteristics in Cancers

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Biomedical and Environmental Sciences 2024年第7期37卷 698-715页

作者： Jiaojiao Wang Yong Liao Pinglian Yang Weile Ye Yong Liu Chunxia Xiao Weixiong Liao Chunbo Chen Zhiping Liu Zunnan Huang center of Scientific research Department of CardiologyMaoming People’s HospitalMaoming 525000GuangdongChina Department of Pharmacy Maoming People’s HospitalMaoming 525000GuangdongChina State Key Laboratory of Bioactive Molecules and druggability Assessment Jinan UniversityGuangzhou 510632GuangdongChina guangdong Province Key Laboratory of Pharmacodynamic Constituents of TCM and New drugs research College of PharmacyJinan UniversityGuangzhou 510632GuangdongChina Key Laboratory of Big Data Mining and Precision drug Design of guangdong Medical University Key Laboratory of Computer-Aided Drug Design of Dongguan CityKey Laboratory for Research and Development of Natural Drugs of Guangdong ProvinceSchool of PharmacyGuangdong Medical UniversityDongguan 523808GuangdongChina Department of Critical Care Medicine Maoming People’s HospitalMaoming 525000GuangdongChina

Objective To examine the precise function of influenza A virus target genes(IATGs)in *** Using multi-omics data from the TCGA and TCPA datasets,33 tumor types were evaluated for *** expression in cancer cells was analyzed using transcriptome *** number variation(CNV)was assessed using GISTICS ***’s analysis was used to correlate mRNA expression with methylation *** was used for the enrichment ***’s correlation analysis was used to examine the association between IATG mRNA expression and *** ImmuCellAI algorithm was used to calculate the infiltration scores of 24 immune cell *** In 13 solid tumors,IATG mRNA levels were atypically *** for UCS,UVM,KICH,PCPG,THCA,CHOL,LAMI,and MESO,most cancers contained somatic IATG *** main types of CNVs in IATGs are heterozygous amplifications and *** most tumors,IATG mRNA expression is adversely associated with ***-PCR demonstrated that EGFR,ANXA5,CACNA1C,CD209,UVRAG were upregulated and CLEC4M was downregulated in KIRC cell lines,consistent with the TCGA and GTEx *** Genomic changes and clinical characteristics of IATGs were identified,which may offer fresh perspectives linking the influenza A virus to cancer.

关键词： Genomic changes Immune microenvironment Prognosis drug resistance Experimental validation

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Optical edge-to-screw singularity state conversions

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Photonics research 2024年第8期12卷 1689-1695页

作者： HAOLIN LIN JUNHUI JIA GUOHUA LIU YANWEN HU ZHEN LI ZHENQIANG CHEN SHENHE FU Department of Optoelectronic Engineering Jinan University guangdong Provincial Key Laboratory of Optical Fiber Sensing and Communications guangdong Provincial Engineering research center of Crystal and Laser Technology

Optical singularity states, which significantly affect propagation properties of light in free space or optical medium, can be geometrically classified into screw and edge types. These different types of singularity states do not exhibit direct connection, being decoupled from each other in the absence of external *** we demonstrate a novel optical process in which a higher-order edge singularity state initially nested in the propagating Gaussian light field gradually involves into a screw singularity with a new-born topological charge determined by order of the edge state. The considered edge state comprises an equal superposition of oppositely charged vortex and antivortex modes. We theoretically and experimentally realize this edge-to-screw conversion process by introducing intrinsic vortex–antivortex interaction. We also present a geometrical representation for mapping this dynamical process, based on the higher-order orbital Poincaré sphere. Within this framework, the edge-to-screw conversion is explained by a mapping of state evolution from the equator to the north or south pole of the Poincaré sphere. Our demonstration provides a novel approach for manipulating singularity state by the intrinsic vortex–antivortex interactions. The presented phenomenon can be also generalized to other wave systems such as matter wave, water wave, and acoustic wave.

关键词： Bose Einstein condensates Light beams Light propagation Optical media Optical vortices Structured light

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Advances of nanoparticles in transmucosal drug delivery

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Nano research 2024年第4期17卷 2874-2885页

作者： Li Zhang Changwei Yang Yingxiang Song Tao Sheng Junyan Li Jicheng Yu Xiaohong Wu Xiao Ye Geriatric Medicine center Department of EndocrinologyZhejiang Provincial People’s Hospital(Affiliated People’s HospitalHangzhou Medical College)Hangzhou 310014China Key Laboratory of Advanced drug delivery systems of Zhejiang Province College of Pharmaceutical SciencesZhejiang UniversityHangzhou 310058China Jinhua Institute of Zhejiang University Jinhua 321299China Liangzhu Laboratory Zhejiang University Medical CenterHangzhou 311121China Department of General Surgery Sir Run Run Shaw HospitalSchool of MedicineZhejiang UniversityHangzhou 310016China National Key Laboratory of Advanced drug delivery and Release systems Zhejiang UniversityHangzhou 310058China Key Laboratory for Diagnosis and Treatment of Endocrine Gland Diseases of Zhejiang Province Hangzhou 310014China

Transmucosal drug administration represents a potential strategy for enhancing treatment efficacy and reducing side effects by avoiding the first-pass effect into the systemic circulation and delivering therapeutics directly to the target disease ***,many challenges still remain in its clinical application,including low drug availability and limited retention time in the *** burgeoning advancement of nanotechnologies offers great potential to overcome the above limitations,leveraging their distinct advantages of high drug-loading capacity and strong *** this review,the latest developments of nanoparticles(NPs)in transmucosal drug delivery as well as their clinical applications are discussed.

关键词： nanoparticles(NPs) transmucosal drug delivery mucosal barriers biomaterials

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Ganoderma Lucidum Spore Oil enhances the effect of cyclophosphamide via inhibiting programmed death-1 and prolongs the survival of H22 tumor-bearing mice

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Journal of Traditional Chinese Medicine 2024年第4期44卷 652-659页

作者： JIANG Zhaojian CAI Hongfei YUAN Cheng CAO Lin XU Wendong HAN Yaming ZHANG Qin LI Jing WANG Qin LIU Juyan Guangzhou HanFang Pharmaceutical Company Limited National Engineering Research Center of Pharmaceutical Processing Technology of Traditional Chinese Medicine and Drug InnovationGuangdong Provincial Key Laboratory of Medicinal LipidsGuangzhou 510240China Zhongshan Medical College Sun Yat-sen UniversityGuangzhou 510080China Guangzhou Pharmaceutical Holdings Limited Guangzhou 510130China National Engineering research center of Pharmaceutical Processing Technology of Traditional Chinese Medicine and drug Innovation Guangzhou 510240China

OBJECTIVE:To investigate the effect of Ganoderma Lucidum Spore Oil(GLSO)on the tumor growth and survival of H22 tumor-bearing mice treated with cyclophosphamide(CTX),and explore the underlying ***:Allograft H22 hepatocellular carcinoma mouse model was applied to investigate the effect of GLSO on the tumor growth and survival of animals,and Kaplan-Meier survival analysis was used to analyze the life *** biochemical examination was used to determine the levels of alanine aminotransferase(ALT),aspartate aminotransferase(AST),urea(UREA)and creatinine(CRE).Western blot analysis was performed to detect Programmed Death-1(PD-1),Programmed Death Ligand 1(PD-L1),Janus Kinase 2(JAK2),phosphorylated Signal Transducer and Activator of Transcription 3(p-STAT3),and Signal Transducer and Activator of Transcription 3(STAT3)***:GLSO increased the anti-tumor effect of CTX and prolonged the survival of H22 tumor-bearing mice treated with ***,GLSO increased the thymus index and showed no obvious toxicity to liver functions of *** also decreased the level of UREA in H22 tumor-bearing mice treated with ***,GLSO could inhibit the expression of PD-1 in spleen,which was independent of JAK2 expression and STAT3 ***,GLSO did not affect the expression of PD-L1,JAK2,and p-STAT3 in tumor ***:GLSO could strengthen the anti-tumor effect of CTX and prolong the life span of H22 tumorbearing mice,while the underlying mechanism might be relevant to the amelioration effect of thymus function and inhibition of PD-1 expression in ***,these findings implied the promising role of GLSO in combination with CTX to extend the survival of patients in clinical chemotherapy of hepatocellular carcinoma.

关键词： carcinoma,hepatocellular cyclophosphamide survival programmed cell death 1 receptor Ganoderma Lucidum SporeOil

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Mechanism of action of the bile acid receptor TGR5 in obesity

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Acta Pharmaceutica Sinica B 2024年第2期14卷 468-491页

作者： Weijun Lun Qihao Yan Xinghua Guo Minchuan Zhou Yan Bai Jincan He Hua Cao Qishi Che Jiao Guo Zhengquan Su guangdong Engineering research center of Natural Products and New drugs Guangdong Provincial University Engineering Technology Research Center of Natural Products and DrugsGuangdong Pharmaceutical UniversityGuangzhou 510006China guangdong Metabolic Disease research center of Integrated Chinese and Western Medicine Key Laboratory of Glucolipid Metabolic DisorderMinistry of Education of ChinaGuangdong TCM Key Laboratory for Metabolic DiseasesGuangdong Pharmaceutical UniversityGuangzhou 510006China School of Public Health Guangdong Pharmaceutical UniversityGuangzhou 510310China School of Chemistry and Chemical Engineering Guangdong Pharmaceutical UniversityZhongshan 528458China Guangzhou Rainhome Pharm&Tech Co. Ltd.Science CityGuangzhou 510663China

G protein-coupled receptors(GPCRs)are a large family of membrane protein receptors,and Takeda G protein-coupled receptor 5(TGR5)is a member of this *** a membrane receptor,TGR5 is widely distributed in different parts of the human body and plays a vital role in regulating metabolism,including the processes of energy consumption,weight loss and blood glucose *** studies have shown that TGR5 plays an important role in glucose and lipid metabolism disorders such as fatty liver,obesity and *** the global obesity situation becoming more and more serious,a comprehensive explanation of the mechanism of TGR5 and filling the gaps in knowledge concerning clinical ligand drugs are urgently *** this review,we mainly explain the anti-obesity mechanism of TGR5 to promote the further study of this target,and show the electron microscope structure of TGR5 and review recent studies on TGR5 ligands to illustrate the specific binding between TGR5 receptor binding sites and ligands,which can effectively provide new ideas for ligand research and promote drug research.

关键词： Obesity TGR5 Bile acids Ligand Appetite Metabolism GLP-1 Inflammation

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Narciclasine induces colon carcinoma cell apoptosis by inhibiting the IL-17A/Act1/TRAF6/NF-kB signaling pathway

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Genes & Diseases 2024年第5期11卷 428-441页

作者： Huiming Deng Qiang Liu Siman Yu Lifan Zhong Lianfang Gan Huiquan Gu Qianru Wang Ruxin Cheng Yong Liu Li Liu Ling Huang Ronghua Xu Department of Gastrointestinal Surgery Huazhong University of Science and Technology Union Shenzhen HospitalShenzhenGuangdong 518000China research center for drug Safety Evaluation of Hainan Province HaikouHainan 571199China Department of Pharmacology Hainan Medical UniversityHaikouHainan 571199China Department of Pathology Guangzhou Panyu Central HospitalGuangzhouGuangdong 511400China Hainan Province Key Laboratory for drug Preclinical Study of Pharmacology and Toxicology research Hainan Medical UniversityHaikouHainan 571199China Hainan center for drug and Medical Device Evaluation and Service Hainan Medical Products AdministrationHaikouHainan 570216China

IL-17 A is a promoter of colorectal cancer initiation and *** is a polyhydroxy alkaloid compound isolated from Narcissus plants,which has potent anti-inflammatory and antitumor *** effects of narciclasine on colorectal tumors were evaluated,with a focus on IL-17 *** reduced the growth of HCT-116 and SW-480 colon cancer cells in vitro and in vivo in murine *** results of flow cytometry on JC-1 and Annexin V/PI revealed that narciclasine significantly reduced the mitochondrial membrane potential and induced apoptosis,findings confirmed by western blotting results of reduced Bcl2 and enhanced Bax expression,as well as accumulation of cleaved Caspase-3,Caspase-8,Caspase-9,and cytoplasmic *** narciclasine incubation,IL-17 A,Act1,and TRAF6 were down-regulated,while p-P65(Ser536)accumulated in the cytoplasm,a finding confirmed by laser scanning confocal ***17A substitution could partly reverse these narciclasine effects while they were elevated by IL17A ***,IL-17 A,Act1,and TRAF6 were significantly expressed to greater extents in human colorectal cancer compared to normal adjacent tissue specimens and were closely linked with a poor *** study provided evidence that narciclasine may be a useful therapeutic drug for colorectal cancer treatment through its actions in down-regulating the L-17A/Act1/TRAF6/NF-kB anti-apoptotic signaling pathway.

关键词： Act1 Apoptosis Colonrectal cancer IL-17A Narciclasine NF-kB

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Reinforcement Learning-Based MAS Interception in Antagonistic Environments

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IEEE/CAA Journal of Automatica Sinica 2024年第1期11卷 270-272页

作者： Siqing Sun Defu Cai Hai-Tao Zhang Ning Xing the School of Artificial Intelligence and Automation the MOE Engineering Research Center of Autonomous Intelligent Unmanned Systemsthe Guangdong Engineering Technology Research Center of Fully Autonomous Unmanned Surface VehiclesHuazhong University of Science and TechnologyWuhan 430074China the State Grid Hubei Electric Power research Institute Wuhan 430074China IEEE

Dear Editor, As a promising multi-agent systems(MASs) operation, autonomous interception has attracted more and more attentions in these years, where defenders prevent intruders from reaching *** far, most of the relevant methods are applied in ideal environments without agent damages. As a remedy, this letter proposes a more realistic interception method for MASs suffered by damages.

关键词： agent MAS destination

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Efficient Photolytic Halogenation and Oxidation of Unactivated Alkyl sp^(3) C—H Bonds with Iodine(III)

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Chinese Journal of Chemistry 2024年第5期42卷 505-510页

作者： Hao Jia Nan Li Chunmei Tang Yajuan Wang Yonghao Xi Rongbao Liao Wei Xu Fufang Wu Xiaobao Shen Hongbin Zhai Biomass Oligosaccharides Engineering Technology research center of Anhui Province Engineering Research Center of Biomass Conversion and Pollution Prevention of Anhui Educational InstitutionsFuyang Normal UniversityFuyangAnhui236037 China Institute of Marine Biomedicine Shenzhen PolytechnicShenzhenGuangdong518055 China State Key Laboratory of Chemical Oncogenomics Shenzhen Engineering Laboratory of Nano Drug Slow-ReleasePeking University Shenzhen Graduate SchoolShenzhenGuangdong518055 China

A metal-free,green,and sustainable functionalization of unactivated alkyl sp^(3) C—H bonds is reported using iodine(III)as a feasible dehydrogenation agent under visible light or KBr,and alkyl chlorides,bromides,alcohols,and ketones could be constructed by addition of different coupling *** and safe iodobenzene diacetate was used to form a radical to activate the alkyl sp^(3) C—H bond in a highly efficient manner,which can construct different alkylation products by adding corresponding coupling reagents.

关键词： Alkyl sp^(3)C—H bonds Chlorination Bromination Oxidation Iodine(III) C—H activation Radical Photocatalysis

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