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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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Design,synthesis and in vitro and in vivo antitumor activities of copper(Ⅱ) complexes with β-carboline derivatives

Design,synthesis and in vitro and in vivo antitumor activiti...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Xing Lu Zhenfeng Chen State Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources School of Chemistry and Pharmaceutical SciencesGuangxi Normal University

The p-carboline alkaloids are a class of synthestic and naturally occurring compounds that possess a large spectrum of important pharmacological properties including anxiolytic,anticonvulsant,sedative,antiparasitic and antitumor ***,a series of copper（Ⅲ） complexes with9-substituted β-carboline ligands were designed and *** vitro antitumor screening indicated that all the copper（Ⅱ） complexes showed higher antitumor activity compared with the *** them,complex 39 exhibited better inhibitory activities than cisplatin against six tumor cell lines,with IC values in range of 0.8±0.2 μM to 3±0.2 μ*** cytometric analysis show that complex 39 caused cell cycle arrest at G1 phase and induced *** studies showed that complex 39 triggered NCI-H460 cells apoptosis via a mitochondrial apoptotic ***,complex 39 exhibited potent inhibitory on tumor growth in NCI-H460 xenograft mouse model and less adverse effects than cispaltin.

关键词： β-carboline copper(Ⅱ) complex antitumor apoptosis

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Targeting at the crooked nonnucleoside binding pocket of HIV-1 reverse transcriptase

Targeting at the crooked nonnucleoside binding pocket of HIV...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Ge Meng Erik De Clercq Fener Chen Engineering Center of Catalysis and Synthesis for Chiral Molecules Department of ChemistryFudan University Rega Institute for Medical Research KU Leuven

This review summarized the crystal structures of recently published HIV-1 RT with the focus on the nonnucleoside inhibitor binding pocket(NNIBP) of HIV-1 reverse transcriptase(RT).A movie was produced out of the selected 30 crystal structures via comparing the NNIBP among 30 items of recently published open form HIV-1 RT crystal *** the selected HIV-1 RT crystal structures were aligned before each individual crystal picture was snapshot for making the movie(Figure 1).The movie indicated that the amino acid(AA) residue(Glu224) is quite flexible comparing with other constant AAs,such as *** new NNRTIs should consider both the main constant skeleton and the varying flexible features for searching the potential agent against HIV-1 *** hints might provide some guidance for further designing new type of HIV-1 RT inhibitors.

关键词： HIV-1 Crystal structure NNIBP NNRTI Drug design

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Carbazolyl oligomers:specific non-B DNA ligands and potential antitumor agents

Carbazolyl oligomers:specific non-B DNA ligands and potentia...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Peng Yang Gang Li Zhaozheng Yang Xiaoyu Liao Shaocong Ji Zhengning Shu Sicong Li Haodong Tang Chuanfeng Liu Wuya College of Innovation Shenyang Pharmaceutical University

Targeting DNA is one of the strategies in the design of antitumor *** DNA ligands may either possess excellent bio-activities or be used to explore biological functions of DNA,and therefore attract lots of researchers' ***,special attentions are given to non-B DNA as canonical B-DNA ligands often cause serious *** this talk,we will present our group's work about carbazolyl oligomers,including the syntheses,the conformations,the non-B DNA binding properties as well as the antitumor *** to our results,the cyclic tetramer（calix[4]carbazole）specifically interacts with A-tract DNA due to its 1,3-alternate conformation;the cyclotrimer（calix[3]carbazole） adopts the saddle conformation so that it selectively binds to DNA three way junction;the linear dimer specifically interacts with *** those oligocarbazoles,the linear dimer possesses the best antitumor activity,comparable to fluorouracil and doxorubicin.

关键词： Carbazole Oligomer DNA Ligands Antitumor Probe

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PROTAC-induced BTK degradation as a novel therapy for mutated BTK C481S induced ibrutinib-resistant B-cell malignancies

PROTAC-induced BTK degradation as a novel therapy for mutate...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yu Rao School of Pharmaceutical Sciences Tsinghua University

A novel PROTAC strategy was developed with high efficacy and specificity for ibrutinib-resistant BTK ***,the representative ibrutinib-mediated PROTAC P13 I could efficiently degrade both wild type and the newly reported ibrutinib-resistant C481 S BTK in lymphoma cell lines with high ***,P13 I significantly inhibited the proliferation and colony formation potential of BTK C481 S mutant HBL-1 cells（ibrutinib-resistant） in ***,the BTK degrader P13 I had almost no effect on ITK,EGFR and TEC family kinases,which are known off-targets of ibrutinib and lead to serious side *** findings offer new opportunities to develop more efficient treatments for Non-Hodgkin lymphoma,including ibrutinib-resistant *** importantly,our results indicate that the PROTAC strategy（protein degradation instead of inhibition）could be adopted as a general and powerful therapeutic treatment for drug-resistant cancers in the future.

关键词： PROTAC BTK Protein degradation Ibrutinib resistance

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Histone demethylase KDM5B

Histone demethylase KDM5B

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yaquan Cao Bing Zhao Lingling Ren Qinyan Shi Yunan Su Hongmin Liu Institute of Drug Discovery & Development China-Zhengzhou University

There is growing evidence for a causal role of the KDM5 family of histone demethylases in human *** particular,KDM5 A(JARID1 A/RBP2) and KDM5 B(JARIDIB/PLUI)contribute to cancer cell proliferation,reduce the expression of tumor suppressor genes,promote the development of drug tolerance and maintain tumor initiating cells.[1]Here,we mainly introduce the current development of KDM5 B and expect it for future *** have shown that KDM5 B is highly expressed in a variety of tumors(such as prostate cancer[2],breast cancer[3],skin cancer and melanoma[4]),and is closely related to the occurrence and development of *** of the better KDM5 B inhibitors have been discovered,as shown in Figure ***,the search for more efficient,specific and safe KDM5 B inhibitors is of great significance for the study of its physiological functions and the development of new anti-tumor drugs.

关键词： cancer histone demethylase KDM5B(JARID1B/PLU1)

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A "Click Chemistry Platform" for the rapid synthesis of small-molecule-mediated degradation of the androgen receptor

A "Click Chemistry Platform" for the rapid synthesis of smal...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Jianjia Liang Hang Xie Ruihua Yang Longfei Zhao Ying Liu Yu Ke Hongmin Liu School of Pharmaceutical Sciences Institute of Drug Discovery and Development Key Laboratory of Advanced Pharmaceutical Technology Ministry of Education of China Zhengzhou University Collaborative Innovation Center of New Drug Research and Safety Evaluation

Targeted protein degradation using small molecules is a novel strategy for drug *** targeting chimeras（PROTACs） are bispecific molecules containing a target protein binder and a ubiquitin ligase binder connected by a *** androgen receptor（AR） plays a critical role in the initiation and progression of prostate cancer（PCa）,and thus its regulation is an important tool in PCa *** recent clinical success of abiraterone（CYP17 A1 inhibitor that further suppresses androgen synthesis） and enzalutamide（AR antagonist）,has confirmed that AR,stimulated by residual androgens,is a driver of tumor *** this study,we designed and synthesized PROTAC（AR）s that induce proteasomal degradation of the AR protein by conjugating an AR antagonist to a hydrophobic tag or cereblon E3 ligase ligand（Scheme 1）.

关键词： PROTACs Androgen Receptor E3 ligase Degradation

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Effect of resveratrol in combination with paclitaxel on human esophageal cancer cells

Effect of resveratrol in combination with paclitaxel on huma...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Xueyan Zhang Yongmei Li Kairui Zhou Tiantian Qin Leilei Li Xiaoli Shi Junfeng Huo Tengjiao Yang Jinling Huo Xiaotian Li Cong Wang School of Pharmaceutical Sciences & Collaborative Innovation Center of New Drug Research and Safety Evaluation Zhengzhou University Yantai Affiliated Hospital of Binzhou Medical University

Interactions between drugs and food ingredients cause substantial problems in clinical treatment. Resveratrol is a compound with many beneficial properties including cardiovascular protective effects,anti-cancer effects,and chemopreventive effects. In this study,we evaluated the effect of resveratrol on paclitaxel-induced apoptosis in esophageal cancer cells both in vitro and in *** formation assay and apoptotic cells assay all certified that resveratrol inhibited apoptosis following treatment with *** further probing the mechanism of this effect,we determined that co-treatment of cells with both compounds led to increased p-glycoprotein expression and decreased Rhodamine 123 *** results suggest that resveratrol decrease the apoptosis induced by PTX,increase the expression of P-gp,and then reduce esophageal cancer cells death.

关键词： antagonism esophageal cancer paclitaxel P-gp resveratrol

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Design and synthesis of novel 2,4,5-trisubstituted quinazoline derivatives

Design and synthesis of novel 2,4,5-trisubstituted quinazoli...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Erdong Li Yaqi Meng Jingchao Xin Na Li Chongnan Bao Peng Yang Peirong Zhao Qiurong Zhang Hongmin Liu School of Pharmaceutical Sciences Zhengzhou University Collaborative Innovation Center of New Drug Research and Safety Evaluation

Quinazoline derivatives are a series of highly active molecules,which are widely used as lead compounds for the research and development of new anti-tumor *** as an important fluorochemical compound has been extensively utilized in the medicinal *** explore and synthesize novel quinazoline derivatives containing aniline structures with good antitumor activity,We used the method of molecular hybridization to incorporate trifmoromethylbenzyl chloride and aniline groups into the *** on molecular docking studies and the study on structure-activity relationship of quinazoline a series of novel 2,4,5-trisubstituted quinazoline derivatives were designed and synthesized using S-methoxy-2-nitrobenzoic acid as raw material in this *** molecular structures of the compounds synthesized have been confirmed by H-NMR,C-NMR and HRMS,and none of the same compounds have been reported in the other *** anti-tumor activity of these compounds are being tested.

关键词： synthesis quinazoline derivatives anti-tumor activity

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Design,synthesis and biological evaluation of pyrimidine derivative inhibiting bruton's tyrosine kinase(BTK)

Design,synthesis and biological evaluation of pyrimidine der...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： YuTeng Bingyu Shi Hua Xiang Jiangsu Key Laboratory of Drug Design and Optimization China Pharamaceutical University

Bruton's Tyrosine Kinase（BTK） is an effective target for the treatment of B-cell malignant tumors and autoimmune *** studies have indicated that inhibition of BTK activity might offer a potential therapy in these *** this work,a series of 2-phenyl pyrimidine derivatives were designed as the inhibitors of *** anti-proliferative assay showed that most compounds displayed good anti-proliferation activities and compound 11 g was identified as the most potent showing an IC value of 6.9μM against Raji cells,which is better than the reference compound *** BTK inhibition assay in vitro showed that compound 11 g had the best inhibitory activity on BTK with the inhibition rate of 82.76%at 100 ***,flow cytometry analysis results indicated that 11 g blocked Ramos cells at the G0/G1 phase,which is in accordance with *** Further mechanism investigation demonstrated that compound 11 g could inhibit the phosphorylation of BTK and its downstream substrate phospholipase γ2（PLCγ2）.All these results suggest that 11 g is worthy of further study as a new BTK inhibitor.

关键词： leukemia lymphoma BTK inhibitors synthesis

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Inducing α1-Adrenergic receptors degradation via small-molecule PROTACs

Inducing α1-Adrenergic receptors degradation via small-mole...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Zhenzhen Li Minyong Li Department of Medicinal Chemistry School of PharmacyShandong University

Small-molecule PROTACs（Proteolysis Targeting Chimeric Molecules） are selective bifunctional molecules that recruit an E3 ubiqurtin ligase to a target protein to direct the target protein into the ubiquitin-proteasome system（UPS）,thereby selectively reducing the level of the target protein by the 26 S proteasome.[1]Small-molecule PROTACs are gaining popularity as tools to degrade target proteins and the medicinal chemists apply themselves to finding novel small-molecule PROTACs for reducing the level of pathogenic protein to obtain the better pharmacological *** addition,some studies have suggested that α-adrenergic receptors（α-ARs） is abundant in prostate cancer cells and there is a close relationship between α-ARs and pathological prostate.[2]Therefore,we can expect that it could be employed to the therapy of prostate cancer by inducing the ai-ARs ***,herein we designed and synthesized the small-molecule PROTACs of ai-ARs by conjugatingα-ARs binder with the E3 ligase CRBN *** it is anticipated that PROTAC-mediatedα-ARs degradation could be a therapeutic strategy in prostate cancer.

关键词： α1-Adrenergic Receptors small-molecule PROTAC degradation

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