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检索条件"任意字段=第11届世界华人药物化学研讨会（ISCMC2018）"

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Discovery of a keapl-dependent peptide PROTAC to knockdown tau by ubiquitination-proteasome degradation pathwa

Discovery of a keapl-dependent peptide PROTAC to knockdown t...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Mengchen Lu Tian Liu Qiong Jiao Jianai Ji Mengmin Tao Yijun Liu Qidong You Zhengyu Jiang State Key Laboratory of Natural Medicines and Jiang Su Key Laboratory of Drug Design and Optimization China Pharmaceutical University Department of Medicinal Chemistry School of PharmacyChina Pharmaceutical University

Induced protein degradation by PROTACs has been an emerging strategy to modulate intracellular concentrations of 'undruggable' proteins,including scaffolding proteins,transcription factors and other non-enzymatic proteins inside the ***,since the discovery of pTRCP,only a few E3 ligases have been identified as appropriate candidates for the design of *** is a substrate adaptor protein for ubiquitin E3 ligase involved in oxidative stress *** of the Keap1-Nrf2 signaling has been proven to be closely related with the oxidative stress and inflammatory-related diseases Thus,the aim of this study was to identify Keapl as a novel candidate for PROTACs that can be applied in the degradation of the non-enzymatic protein Tau.A peptide PROTAC by recruiting Keap1-Cul3 ubiquitin E3 ligase was developed and applied in the degradation of intracellular *** 1 showed strong in vitro binding with Keap1 and *** proper cell permeability,peptide 1 was found to colocalize with cellular Keap1 and resulted in the coimmunoprecipitation of Tau and *** results of flow cytometry and western blotting assays showed that peptide 1 can downregulate the intracellular Tau level in both time-and concentration-dependent *** application of Keapl siRNA silencing and the proteasome inhibitor MG132 confirmed that peptide 1 could promote the Keap1-dependent poly-ubiquitination and proteasome-dependent degradation of *** results suggested that using PROTACs to recruit Keap1 to induce the degradation of Tau may show promising character in the treatment of neurodegenerative ***,our research demonstrated that Keap1 should be a promising E3 ligase adaptor to be used in the design of novel PROTACs.

关键词： Induced protein degradation ubiquitin E3 ligase Keap1 PROTACs

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Metagenomic insight into natural product genes of the yellow sea and the east china sea sediments

Metagenomic insight into natural product genes of the yellow...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yongjun Wei Shan Jiang Lingmin Tian School of Pharmaceutical Sciences Zhengzhou University State Key Laboratory of Estuarine and Coast Research East China Normal University Department of Food Science and Engineering Jinan University

Natural products of polyketides（PKs） and nonribosomal peptides（NRPs） are widely applied as drugs in use *** PKs and NRPs were identified in phyla of Proteobacteria and Actinobacteria,and marine sediment was the potential source for novel PKs and *** traditional bacteria isolation was difficult to recover new species and novel natural products in marine sediment,the 16 S rRNA,nonribosomal peptide synthetase（NRPS） adenylation domain（AD） and PKs polyketide synthase（KS） gene fragments were used to reveal bacterial,PKs and NRPs diversities,*** previous analysis of marine sediment near Shandong province showed that Proteobacteria and Actinobacteria accounted for 41%and0.8%of all the 1355 OTUs,***,abundant AD domains and some KS domains were identified,suggesting The Yellow Sea sediment potentially had the ability to biosynthesize novel natural ***,to reveal more NRPS and PKS gene clusters,48 samples of The Yellow Sea and The East China Sea sediments near Shanghai,Zhejiang and Jiangsu provinces were collected and *** showed that these 48 samples harbored more than 12,000 OTUs and bacterial distribution was related with marine depth,geographical distance and organic *** Proteobacteria and Actinobacteria accounted for 41%±10.68%and 4.6%±1.74%in the marine samples,respectively,suggesting more diverse natural product biosynthetic gene clusters would be available in the new 48 marine sediment samples than the previous one obtained from Shandong ***,3 samples were used for metagenomic pyrosequencing and several PKs and NRPs biosynthetic gene clusters were *** screening and characterizing of novel natural product biosynthetic gene clusters are ongoing,and diverse active natural products might be identified from the marine sediments.

关键词： PKS and NRPS biosynthetic genes metagenomics marine sediment

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ZLD1039,a EZH2 inhibitor,exerts potent anti-tumor and anti-metastasis activity in melanoma

ZLD1039,a EZH2 inhibitor,exerts potent anti-tumor and anti-m...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yongxia Zhu Lidan Zhang Xuejiao Song Tinghong Ye Luoting Yu State Key Laboratory of Biotherapy and Cancer Center West China HospitalWest China Medical SchoolSichuan University Department of Gynecology and Obstetrics Henan Provincial People's Hospital

Melanoma is one of the deadliest form of skin cancer with considerable metastatic potential,and high frequency of drug resistance have resulted in poor efficacy *** of zeste homolog 2(EZH2),one of the catalytic subunit of the polycomb repressive complex(PRC2),can catalyze the tri-methylation of histone 3 lysine 27(H3 K27),which leads to repress gene expression involved in cell proliferation and *** studies showed that EZH2 expression was elevated in melanoma,especially in metastatic ***,targeting EZH2 may present a promising therapeutic strategy for *** our previous work,we have designed,synthesized and identified ZLD1039 as a potent highly selective inhibitor of ***,we further investigated the biological activities of ZLD1039 against *** results indicated that ZLD1039 inhibited cell proliferation in numerous types of melanoma cell lines in dose-and time-dependent *** occurrence of inhibition was associated with the decreased global histone 3 lysine 27(H3 K27)***,treatment of A375 xenograft-bearing mice with ZLD1039 significantly inhibited tumor growth without obvious side ***,ZLD1039 impaired melanoma cell migration and ***,ZLD1039 markedly inhibited pulmonary metastases of B16-F10 mouse melanoma model,with preventing the formation of lung metastatic nodules and reducing the lung/body *** might be associated with the decrease of myeloid-derived suppressor cells(MDSCs).Collectively,these data suggested that ZLD1039 might be a potential agent for inhibiting the growth and metastasis of Melanoma.

关键词： EZH2 ZLD1039 Melanoma Anti-metastasis

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A novel benzoxazinone derivative YLT-LS01 inhibits diffuse large B-cell lymphoma growth via inducing cell cycle arrest and apoptosis

A novel benzoxazinone derivative YLT-LS01 inhibits diffuse l...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Li Liu Zhihao Liu Changzhen Sun Cuiting Peng Tinghong Ye Luoting Yu Department of Dermatology Affiliated HospitalSouthwest Medical University State Key Laboratory of Biotherapy and Cancer Center West China HospitalWest China Medical SchoolSichuan University Drug Research Center of Integrated Traditional Chinese and Western Medicine Affiliated Traditional Chinese Medicine HospitalSouthwest Medical University

Diffuse large B-cell lymphoma（DLBCL） is a clinically aggressive B-cell non-Hodgkin lymphoma（NHL） with high treatment difficulty and high relapse rate .The bromodomain and extraterminal（BET） proteins play significant roles in supporting the transcription of known DLBCL oncogene MYC,which provides a way for the development of targeted therapeutic agents to address this kind of malignant tumor .Here we reported a novel benzoxazinone derivative YLT-LS01 as potential BET inhibitor and further investigated the biological activities against *** results suggested that YLT-LS01 inhibited cell growth against a panel of human hematopoietic malignancies cell lines in a dose-and time-dependent *** addition,flow cytometry and western blotting assays showed that YLT-LS01 inhibited the proliferation of a DLBCL cell line OCI-LY10 via inducing C0/G1 cell cycle arrest with regulation of the cyclin-dependent kinases（CDKs） ***,YLT-LS01 facilitated OCI-LY10 cell apoptosis by upregulation of pro-apoptotic protein BAX and downregulation of anti-apoptotic protein *** together,these results revealed that BET inhibitor YLT-LS01 can downregulate growth-associated transcription factors MYC in DLBCL thus resulted in cell growth inhibition and apoptosis.

关键词： BET c-Myc Diffuse large B cell lymphoma cell cycle apoptosis

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Lead optimization of plasmodium phosphatidylinositol-4-kinase inhibitors:a new class of antimalarial with activity on plamodiun blood stages and liver stages

Lead optimization of plasmodium phosphatidylinositol-4-kinas...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Xiaofei Liang Feng Li Zhenghui Huang Zhongru Jiang Chen Hu Lubing Jiang Qingsong Liu Jing Liu High Magnetic Field Laboratory Chinese Academy of Sciences Key Laboratory of Molecular Virology and Immunology Unit of Pathogen-Host Interaction and Epigenetics.Institut Pasteur of Shanghai

Drug resistant malaria infections are an increasing threat to public health,especially for young children and pregnant *** World Health Organization recommends artemisinin-based combination therapy（ACTs） and vector control measures are key factors in relieving the burden of ***,recent reports of emerging resistance towards the ACTs,and other antimalarial agents with known mechanisms of action,emphasizes the need to investigate novel chemotype acting against novel targets towards more efficacious drugs with multi-stage parasite life-cycle *** phosphatidylinositol-4-kinase（PI4 K） is an attractive antimalarial target as it is important in all stages of the Plasmodium *** PI4 K catalyzes the phosphorylation of phosphatidylinositol（PI） to produce the cellular secondary messenger phosphtaidylinositol-4-phosphate（PI4 P）,subsequently initiating a cascade of downstream events to modulate a variety of biological progress including secondary messenger signaling,cellular membrane remodeling,and vesicular *** the phenotypic screening of in house small molecular library,bipyridin-sulfonamide has emerged as novel chemotype hit against the blood stage of Plasmodium falciparum and PfPI4 K *** medicinal chemistry optimization of the potency against Plasmodium falciparum and PfPI4 K kinase result in the identification of CHMFL-PI4 K-127 as a lead ***-PI4 K-127 exhibits impressive selectivity against Pf PI4 K over human lipid and protein ***-PI4 K-127 retains its potency against a panel of Plasmodium falciparum isolates with known mechanisms of *** compound displays an excellent pharmacokinetic property in rat These profiles led to total eliminate in parasitemia and an extended survival of animals for over 21 days following a dose of 100 mg/kg in the malaria mouse model.

关键词： Plasmodiun PfPI4K kinase inhibitor Structure-Activity Relationship

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miR-199a-3p suppresses tumor cells and increases cell sensitivity to MK2206 by targeting PI3K/Akt/mTOR pathway in esophageal squamous cell carcinoma

miR-199a-3p suppresses tumor cells and increases cell sensit...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yang Wang Mengying Zhang Qi Zhao Tianli Fan Yandan Ren Ang Jia Zhaoming Lu Guiqin Hou School of Pharmaceutical Sciences Zhengzhou University Department of Pharmacology School of Basic MedicineZhengzhou University Collaborative Innovation Center of Cancer Chemoprevention

miR-199 a-3 p can function as tumor suppressor and play an important role in tumorigenesis,but there is limited research about its effects in esophageal squamous cell carcinoma(ESCC).PI3 K/Akt/mTOR pathway regulates numerous cellular functions and its many inhibitors have been tested within clinical ***2206 allosteric,an inhibitor of Akt,has been examined in both preclinical and clinical trials for treatment of solid *** this study,the effects of miR-199 a-3 p alone and combined with MK2206 on ESCC were *** results showed that miR-199 a-3 p was expressed in five ESCC cell lines and could suppress cell proliferation,migration and invasion,as well as induce cell cycle arrest and apoptosis of ESCC ***,we found that miR-199 a-3 p could decrease the expression levels of mTOR,Rictor,Raptor and p-p70 S6 ***,we found that MK2206 could significantly increase the inhibitory effects of miR-199 a-3 p on proliferation in ESCC cells by inhibiting p-Akt,Raptor,Rictor and p-p70 S6 *** conclusion,miR-199 a-3 p can enhance sensitivity of ESCC cells to MK2206 by inhibiting mTOR/p70 S6 K signaling pathway.

关键词： miR-199a-3p esophageal squamous cell carcinoma PI3K/Akt/mTOR MK2206

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Brevipolide H,a natural component from hyptis brevipes,induces anticancer activity of human castration-resistant metastatic prostate cancer cells-a crucial role of crosstalk between intracellular Ca2+ and oxidative stress and inhibition of Akt/mTOR/p70S

Brevipolide H,a natural component from hyptis brevipes,induc...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yihus Sheng Wohnjenn Leu Yaching Chang Duenren Hou Jihhwa Guh Department of Pharmacy School of PharmacyTaiwan University Department of Chemistry College of Science“Central University”

Metastatic castration-resistant prostate cancer（MCRPC） is a type of progressive prostate cancer unresponsive to hormone ***,maximizing treatment options for MCRPC is of importance.A total synthesis has been performed successfully to obtain（-）-brevipolide H,which is a natural component from Hyptis brevipes,with complex structure and cytotoxic *** data demonstrated that（-）-brevipolide H induced a concentration-dependent inhibition of cell proliferation with a GI of 2.72 ± 0.15.μM in MCRPC PC-3 by SRB assay.A long-term exposure to（-）-brevipolide H for 8 days resulted in a stronger anti-proliferative effect against anchorage-dependent colony formation with a GIof 0.37 ± 0.06 μ*** cytometric analysis of cell division by carboxy-fluorescein succinimidyl ester（CFSE） staining also confirmed the anti-proliferative effect of（-）-brevipolide ***,flow cytofluorometric analysis of cell cycle with PI staining showed arrest of the cell cycle at G0/G1 phase to（-）-brevipolide H action and an induction of subsequent cell *** G0/G1 arrest was validated to be attributed to the down-regulated protein expressions of c-Myc,cyclin D1 and cyclin E by using Western blotting and confocal immunofluorescence microscopic ***,（-）-brevipolide H inhibited the signaling pathway of Akt/mTOR/p70 S6 K/4 E-BP1 through the inhibition of phosphorylation at several stimulatory *** of myristylated-Akt,a constitutively activated Akt,partly rescued the Akt/mTOR signaling cascades to（-）-brevipolide H *** note,（-）-brevipolide H induced an increase of intracellular Calevels and ROS *** also induced the down-regulation of anti-apoptotic Bcl-2 family proteins（Bcl-2 and Bcl-xL） and the loss of mitochondrial membrane potential indicating the contribution of mitochondrial damage stress to cell *** conclusion,the results suggest that（-）-brevipolide H induces anti-proliferative and apoptotic effects in MCRPC through

关键词： (-)-brevipolide H prostate cancer cell cycle arrest apoptosis Akt

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Fragment-growing guided design of Keap1-Nrf2 protein-protein interaction inhibitors for targeting myocarditis

Fragment-growing guided design of Keap1-Nrf2 protein-protein...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Hao Zhang Ning Meng Zhenyuan Miao Chunlin Zhuang Wannian Zhang School of Pharmacy Second Military Medical University School of Pharmacy Ningxia Medical University School of Biological Science and Technology University of Jinan

It is reported that the number of acute myocarditis cases was approximately 1.5 million in2013,and more than 350 thousand people died from cardiomyopathy,including *** etiological consideration,superoxide anion,hydrogen peroxide and other reactive oxygen species（ROS） are highly produced in *** oxidative stress,Keapl is deactivated,and Nrf2 escapes from Keapl binding and translocates into the ***,Nrf2 activates the ARE-dependent antioxidant genes to protect ***,targeting the Keap1-Nrf2 signaling pathway is a reasonable strategy to discover therapeutic agents against oxidative stress-mediated diseasesIn this study,an in-silico fragment growing strategy based on S47 was utilized The proposed compounds were predicted to form additional hydrogen bonds with the S363 residue,probably leading to higher inhibitory *** compounds were synthesized,and a structure-activity relationship（SAR） study was *** them,compounds SOI and S05 exhibited significant biochemical potency,as determined by fluorescent anisotropy assay and confirmed by surface plasmon resonance（SPR） and diff erential scanning fluorimetry（DSF） *** inhibitors can dose-dependently protect the H9 c2 cardiac cells against LPS-induced injury（100%at 2 μM and 4 μM） and eff ectively prolong survival or save the life of LPS-injured *** studies showed that these inhibitors could release Nrf2 in H9 c2 cells and LPS-inflammatory mouse models and translocate into the nucleus in a dose-response manner,which significantly increased the downstream genes（HO-1,NQO-1） and the pro-inflammatory cytokines（TNF-α,IL-1β,IL-6）,while ROS production dramatically *** protective eff ects and the mechanism of action were further confirmed by siNrf2 transfected *** conclusion,compounds of this new chemotype of Keap1 inhibitors can act as valuable chemical probes or lead compounds for investigating the biological functions of Keap1-N

关键词： Fragment-growing Keap1-Nrf2 Protein-protein interaction Inhibitor Myocarditis

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Exploration of 5-cyano-6-phenyl-pyrimidin-based derivatives as potent inhibitors against DCN1-UBE2M interaction

Exploration of 5-cyano-6-phenyl-pyrimidin-based derivatives ...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Wenjuan Zhou Liying Ma Lina Ding Hui Qiao Jing Yang Lingyu Li Qian Guo Hongmin Liu Zhenhe Suo Zhao Wen Key Laboratory of Advanced Pharmaceutical Technology Ministry of Education of China Co-innovation Center of Henan Province for New drug R & D and Preclinical Safety School of Pharmaceutical Sciences Zhengzhou University Clinical Medical Institute Medical FacultyOslo University

Posttranslational modification neddylation,like ubiquitination,regulates a wide range of essential cellular processes[1],which involves its own tripartite enzymatic cascade:E1（APPBP1/Uba3）,E2（UBE2 M and UBE2 F） and ***,NEDD8 pathway has emerged as important targets for anti-oncologic drag discovery as the reported NAE1 inhibitor MLN4924[2].However,duo to its series of toxicity for complete ablation of neddylation pathway,discovery of novel and specific inhibitors targeting to specific CRL pathway with fewer side effects becomes important[3].Here,we presented the discovery of inhibitors targeting UBE2 M-DCN1 interaction,using two methods:homogeneous time-resolved fluorescence and fluorescence *** a series of screening and analyses,we found that compounds containing 5-Cyano-6-Phenyl-Pyrimidin can potentially block DCN1-UBE2 M interaction,especially compound 379,with IC less than 20 ***,CETSA,co-IP and molecule docking experiments indicated that 379 can potently and specifically target DCN1,block its interaction with UBE2 M,then decrease cancer cells' cullin3 neddylation level and result in its substrate NRF2 *** findings indicate that compound 379 may be a new lead compound for generating more specific derivatives targeting DCN1-UBE2 M interaction.

关键词： DCN1 UBC12 inhibitors long cancer

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Interruption of a paracrine amplification loop between LSD1 and TGF β1 by LSD1 inhibitor

Interruption of a paracrine amplification loop between LSD1 ...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yichao Zheng Hongmin Liu Key Laboratory of Advanced Drug Preparation Technologies Ministry of Education of ChinaKey Laboratory of Henan Province for Drug Quality and EvaluationInstitute of Drug Discovery and DevelopmentSchool of Pharmaceutical SciencesZhengzhou University

Tumor development has been shown to involve amplification loops among specific key ***,the mechanisms regarding the role of epigenetic modifications in this process have not been clearly *** data indicate that the expression of LSD1,the first identified histone lysine specific demethylase,is overexpressed and positively correlated with TGF 61 in metastatic gastric cancer *** 61 activates the(p-ERK1/2)-(NF-κB)-p300 signaling pathway,which leads to LSD1 overexpression and EMT in gastric cancer ***,in gastric epithelial cells,TGF 61 inactivates ERK1/2,which does not induce the overexpression of ***-down of LSD1 decreases TGF 61 expression in various gastric *** also demonstrated that abrogation of LSD1 may suppress the expression of TGF β1 and gastric cancer metastatic potential in *** results suggest distinct roles for TGF β1 and LSD1 in gastric cancer cells and benign *** on this finding,a series of triazole fused pyrimidine derivatives was designed and synthesized,the most potent compound 15 u(IC50 = 49 nM,and Ki = 16 nM) inactivates LSD1 reversibly and competitively,and is selective to LSD1 over MAO-A/*** cellular level,compound 15 u can inactivate LSD1 and decrease TGF β1 expression by accumulating H3 K9 me2 around its promoter,which leads to the inhibition of cell migration and reverse *** a nutshell,the formation of the LSD1-TGF β1 paracrine amplification loop in gastric cancer rather than benign gastric cells suggests a novel mechanism for promoting aggressiveness of gastric cancer by regulating EMT,and LSD1 is a promising target for gastric cancer therapy by interrupting the paracrine amplification loop.

关键词： LSD1 TGF β1 gastric cancer inhibitor

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