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Carbonic anhydrase-like enzymes in the formation of Lycopodium alkaloid

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Chinese Journal of Natural Medicines 2024年第3期22卷 193-194页

作者： DONG Huiwen GE Huiming state {1. laboratory of pharmaceutical biotechnology Institute of Functional BiomoleculesSchool of Life SciencesNanjing UniversityNanjing 210023China

Plant alkaloids,renowned for their structural diversity and bioactivity,are prominent in both modern and traditional medicine[1..Unraveling the intricacies of plant alkaloid biosynthesis could pave the way for the discovery of new natural products and *** may also shed light on the roles of existing pathways in host biology and provide valuable tools for metabolic engineering in plants and microbes[2].Unlike other major classes of plant natural products,such as terpenoids and polyketides,the formation of alkaloid scaffolds does not conform to a uniform chemical theme or depend on a singular enzyme class[3].A case in point is the Lycopodium alkaloids in the Lycopodiaceae family,where the enzymes responsible for their core scaffold construction remain unidentified[4].

关键词： Lycopodium alkaloid Carbonic anhydrase-like enzymes Biosynthesis

Comprehensive integration of single-cell transcriptomic data illuminates the regulatory network architecture of plant cell fate specification

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Plant Diversity 2024年第3期46卷 372-385页

作者： Shanni Cao Xue Zhao Zhuojin Li Ranran Yu Yuqi Li Xinkai Zhou Wenhao Yan Dijun Chen Chao He state {1. laboratory of pharmaceutical biotechnology School of Life SciencesNanjing UniversityNanjing 210023China National key {1. of Crop Genetic Improvement Hubei Hongshan LaboratoryHuazhong Agricultural UniversityWuhan 430070China

Plant morphogenesis relies on precise gene expression programs at the proper time and position which is orchestrated by transcription factors(TFs)in intricate regulatory networks in a cell-type specific *** we introduced a comprehensive single-cell transcriptomic atlas of Arabidopsis *** atlas is the result of meticulous integration of 63 previously published scRNA-seq datasets,addressing batch effects and conserving biological *** integration spans a broad spectrum of tissues,including both below-and above-ground *** a rigorous approach for cell type annotation,we identified 47 distinct cell types or states,largely expanding our current view of plant cell *** systematically constructed cell-type specific gene regulatory networks and uncovered {1. regulators that act in a coordinated manner to control cell-type specific gene *** together,our study not only offers extensive plant cell atlas exploration that serves as a valuable resource,but also provides molecular insights into gene-regulatory programs that varies from different cell types.

关键词： Arabidopsis Single cell transcriptome Gene regulatory network Data integration Plant cell atlas

Discovery of proqodine A derivatives with antitumor activity targeting NAD(P)H:quinone oxidoreductase 1.and nicotinamide phosphoribosyltransferase

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Chinese Journal of Natural Medicines 2024年第1期22卷 75-88页

作者： SONG Jiangzhou ZOU Guiqing ZHAO Zhou ZHU Ya XUE Jiayu AO Lanjia SUN Huiyong HAO Haiping ZHANG Bo XU Xiaowei state {1. laboratory of Natural Medicines Key Lab of Drug Metabolism and PharmacokineticsChina Pharmaceutical UniversityNanjing 210009China state {1. laboratory of Natural Medicines China Pharmaceutical UniversityNanjing 210009China

NAD(P)H:quinone oxidoreductase 1.NQO1.is a flavin protease highly expressed in various cancer ***1.catalyzes a futile redox cycle in substrates,leading to substantial reactive oxygen species(ROS)*** ROS generation results in extensive DNA damage and elevated poly(ADP-ribose)polymerase 1.PARP1.-mediated consumption of nicotinamide adenine dinucleotide(NAD^(+)),ultimately causing cell *** phosphoribosyltransferase(NAMPT),the rate-limiting enzyme in the NAD^(+)salvage synthesis pathway,emerges as a critical target in cancer *** concurrent inhibition of NQO1.and NAMPT triggers hyperactivation of PARP1.and intensive NAD+*** this study,we designed,synthesized,and assessed a novel series of proqodine A derivatives targeting both NQO1.and *** these,compound T8 demonstrated potent antitumor ***,T8 selectively inhibited the proliferation of MCF-7 cells and induced apoptosis through mechanisms dependent on both NQO1.and *** discovery offers a promising new molecular entity for advancing anticancer research.

关键词： NQO1 ROS NAMPT NAD^(+) T8

Oxidative spirolactonisation for modular access of γ-spirolactones via a radical tandem annulation pathway

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Chinese Chemical Letters 2024年第10期35卷 249-252页

作者： Jindian Duan Xiaojuan Ding Pui Ying Choy Binyan Xu Luchao Li Hong Qin Zheng Fang Fuk Yee Kwong Kai Guo College of biotechnology and {1. Engineering State Key Laboratory of Materials-Oriented Chemical EngineeringNanjing Tech UniversityNanjing 211816China Department of Chemistry and state {1. laboratory of Synthetic Chemistry The Chinese University of Hong KongHong KongChina

An oxidative annulation of 2-arylidene-1.3-indanediones with Meldrum's acid has been developed for the divergent syntheses of spirolactones with a spirocenter located at theγ-position with respect to the carbonyl *** heteroannulation protocol tolerates various functional groups and delivers moderate-to-good product ***,the reaction outcomes are exclusively controlled by the reaction oxidant/*** annulation strategy can also be executed in the flow system with decent product *** experiments revealed that the reaction proceeds via a radical tandem annulation pathway.

关键词： Spirolactonisation y-Spirolactones 2-Arylidene-1.3-indanediones Meldrum's acid Divergentsynthesis

Discovery of TK-642 as a highly potent,selective,orally bioavailable pyrazolopyrazine-based allosteric SHP2 inhibitor

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Acta Pharmaceutica Sinica B 2024年第8期14卷 3624-3642页

作者： Kai Tang Shu Wang Siqi Feng Xinyu Yang Yueyang Guo Xiangli Ren Linyue Bai Bin Yu Hong-Min Liu Yihui Song School of pharmaceutical Sciences&{1. laboratory of Advanced Drug Preparation Technologies Ministry of EducationZhengzhou UniversityZhengzhou 450001China College of Chemistry Pingyuan LaboratoryState Key Laboratory of Antiviral DrugsZhengzhou UniversityZhengzhou 450001China Tianjian laboratory of Advanced Biomedical Sciences Institute of Advanced Biomedical SciencesZhengzhou UniversityZhengzhou 450000China state {1. laboratory of pharmaceutical biotechnology Nanjing UniversityNanjing 210023China

Src homology-2-containing protein tyrosine phosphatase 2(SHP2)is a promising therapeutic target for cancer *** this work,we presented the structure-guided design of 5,6-fused bicyclic allosteric SHP2 inhibitors,leading to the identification of pyrazolopyrazine-based TK-642 as a highly potent,selective,orally bioavailable allosteric SHP2 inhibitor(SHP2WT IC_(50)=2.7 nmol/L)with favorable pharmacokinetic profiles(F=42.5%;t_(1.2)=2.47 h).Both dual inhibition biochemical assay and docking analysis indicated that TK-642 likely bound to the“tunnel”allosteric site of ***-642 could effectively suppress cell proliferation(KYSE-520 cells IC_(50)=5.73μmol/L)and induce apoptosis in esophageal cancer cells by targeting the SHP2-mediated AKT and ERK signaling ***,oral administration of TK-642 also demonstrated effective anti-tumor effects in the KYSE-520 xenograft mouse model,with a T/C value of 83.69%.Collectively,TK-642 may warrant further investigation as a promising lead compound for the treatment of esophageal cancer.

关键词： Protein tyrosine phosphatase Pyrazolopyrazine SHP2 inhibitor Esophageal cancer

Sinensetin protects against periodontitis through binding to Bach1.enhancing its ubiquitination degradation and improving oxidative stress

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International Journal of Oral Science 2024年第3期16卷 553-562页

作者： Zhiyao Yuan Junjie Li Fuyu Xiao Yu Wu Zhiting Zhang Jiahong Shi Jun Qian Xudong Wu Fuhua Yan Department of Periodontology Nanjing Stomatological HospitalAffiliated Hospital of Medical SchoolInstitute of StomatologyState Key Laboratory of Pharmaceutical BiotechnologySchool of Life SciencesNanjing UniversityNanjingChina

Periodontitis is a chronic inflammatory and immune reactive disease induced by the subgingival *** therapeutic effect for susceptible patients is often unsatisfactory due to excessive inflammatory response and oxidative ***(Sin)is a nature polymethoxylated flavonoid with anti-inflammatory and antioxidant *** study aimed to explore the beneficial effect of Sin on periodontitis and the specific molecular *** found that Sin attenuated oxidative stress and inflammatory levels of periodontal ligament cells(PDLCs)under inflammatory *** Sin to rats with ligation-induced periodontitis models exhibited a protective effect against periodontitis in *** molecular docking,we identified Bach1.as a strong binding target of Sin,and this binding was further verified by cellular thermal displacement assay and immunofluorescence *** immunoprecipitation-quantitative polymerase chain reaction results also revealed that Sin obstructed the binding of Bach1.to the HMOX1.promoter,subsequently upregulating the expression of the key antioxidant factor *** functional experiments with Bach1.knocked down and overexpressed verified Bach1.as a key target for Sin to exert its antioxidant ***,we demonstrated that Sin prompted the reduction of Bach1.by potentiating the ubiquitination degradation of Bach1.thereby inducing HO-1.expression and inhibiting oxidative ***,Sin could be a promising drug candidate for the treatment of periodontitis by targeting binding to Bach1.

关键词： Bach1 period prompt

Asperochones A and B,two antimicrobial aromatic polyketides from the endophytic fungus Aspergillus ***-2

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Chinese Chemical Letters 2024年第9期35卷 206-209页

作者： Hong Zhang Cui-Ping Li Li-Li Wang Zhuo-Da Zhou Wen-Sen Li Ling-Yi Kong Ming-Hua Yang Jiangsu key {1. of Bioactive Natural Product Research and state key {1. of Natural Medicines China Pharmaceutical UniversityNanjing 210009China

Two novel fungal metabolites,asperochones A and B,were obtained from an Aspergillus *** structures were determined by 1./2D nuclear magnetic resonance(NMR)spectroscopy,high resolution electrospray ionization mass spectroscopy(HRESIMS),and single-crystal X-ray diffraction *** A possesses an intriguing skeleton bearing 5/6/6/6/7/5/5/5 octacyclic ring system,and asperochone B also exhibits an unusual carbon skeleton with five stereochiral *** structures were proposed as heterotrimeric and heterodimeric products of aromatic *** addition,asperochone A exhibited a potential anti-tuberculosis effect since it showed a moderate potency against Mycobacterium smegmatis.

关键词： Aspergillus sp. Asperochones A and B Aromatic polyketides Heterotrimeric compound Anti-tuberculosis effect Antifibrotic activity

Strategies that regulate LSD1.for novel therapeutics

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Acta Pharmaceutica Sinica B 2024年第4期14卷 1494-1507页

作者： Meng Li Mengge Dai Bing Cheng Shaotong Li Enhui Guo Junwei Fu Ting Ma Bin Yu School of pharmaceutical Sciences&{1. laboratory of Advanced Drug Preparation Technologies Ministry of EducationZhengzhou UniversityZhengzhou 450001China College of Chemistry Zhengzhou UniversityZhengzhou 450001China Tianjian laboratory of Advanced Biomedical Sciences Institute of Advanced Biomedical SciencesZhengzhou UniversityZhengzhou 450000China Pingyuan laboratory State Key Laboratory of Antiviral DrugsHenan Normal UniversityXinxiang 453007China state {1. laboratory of pharmaceutical biotechnology Nanjing UniversityNanjing 210023China

Histone methylation plays crucial roles in regulating chromatin structure and gene transcrip-tion in epigenetic ***-specific demethylase 1.LSD1.,the first identified histone de-methylase,is universally overexpressed in various ***1.dysregulation is closely associated with cancer,viral infections,and neurodegenerative diseases,etc.,making it a promising therapeutic *** LSD1.inhibitors and two small-molecule degraders(UM1.1.and BEA-1.)have entered the clinical ***1.can remove methyl groups from histone 3 at lysine 4 or lysine 9(H3K4 or H3K9),resulting in either transcription repression or *** the roles of LSD1.in transcrip-tional regulation are well-established,studies have revealed that LSDl can also be dynamically regulated by other *** example,the expression or activity of LSD1.can be regulated by many proteins that form transcriptional corepressor complexes with ***,some post-transcriptional modifica-tions and cellular metabolites can also regulate LSD1.expression or its demethylase ***,in this review,we will systematically summarize how proteins involved in the transcriptional corepressor complex,various post-translational modifications,and metabolites act as regulatory factors for LSD1.ac-tivity.

关键词： LSD1.regulation Transcription repression Transcription activation the Corepressor complex Post-transcriptional modifications Metabolites

Acatulides A-G,neuroprotective macrolides from Acaulium album H-JQSF

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Chinese Chemical Letters 2024年第3期35卷 379-383页

作者： Zhi-Wu Tong Ting-Ting Wang Pei Yang Jia-Lin Sun Chen-Peng Zhang Salman Khan Xin-Cun Wang Rui-Hua Jiao Hui-Ming Ge Wen-Ying Zhuang Gang Hu Ren Xiang Tan state {1. laboratory of pharmaceutical biotechnology Institute of Functional BiomoleculesNanjing UniversityNanjing 210023China state {1. laboratory Cultivation Base for TCM Quality and Efficacy Nanjing University of Chinese MedicineNanjing 210023China Insitute of Microbiology Chinese Academy of SciencesBeijing 100101China

Fungal symbionts co-evolve with hosts and microbial co-inhabitants to acquire an unpredictable potential for producing novel bioactive metabolites,but the knowledge about the topic remains patchy and *** we present the chemical characterization of acatulides A-G(1.7)as architecturally unprecedented macrolides from the solid-state culture of Acaulium album H-JQSF,an arthropod-associated *** acatulide structures were elucidated by spectroscopic analysis,modified Mosher's method and single-crystal X-ray *** plausible biosynthetic pathways for compounds 1.4 are ***,acatulides B-D(2-4)and G(7)were demonstrated to be neuroprotective against the 1.methyl-4-phenylpyridinium(MPP+)-induced damage to SH-SY5Y cells and nematode Caenorhabditis elegans(***).

关键词： Acaulium album Macrolides Acatulides A–G Mosher’s method Neuroprotective