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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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Brφnsted acid-catalyzed direct C(sp2)-H activation enabling the discovery of biaryl compounds as novel BRD4 inhibitors

Brφnsted acid-catalyzed direct C(sp2)-H activation enabling...

引用

第11届世界华人药物化学研讨会（iscmc 2018）

作者： Shuo Yuan Dandan Shen Jinjie Chen Zixin Qiu Yonggang Liu Yichao Zheng Bin Yu Hongmin Liu School of Pharmaceutical Sciences Zhengzhou University

BET proteins contain tandem bromodomains which bind to acetylated histones and are thereby implicated in a number of DNA-centered processes As the best-studied member of the BET family,BRD4 plays a significant role in cell cycle progression and viabilitySelective BRD4 inhibitors Apabetalone,CPI-0610,（+）-JQ1 *** the treatment of multiple tumors have been ***,the identification of novel BRD4 inhibitors with new scaffolds still remain *** we reported the discovery of BRD4 hit compound YS-45(IC= 4.95 μM) from our in-house compound collection established based on the bronsted acid-catalyzed direct C（sp2）-H *** SARs studies and mechanistic investigation are currently ongoing in our lab to obtain potential BRD4 lead compounds.

关键词： C(sp2)-H activation BRD4 inhibitor Biaryl compounds

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A bioluminescent probe for detection of starvation-induced pantetheinase upregulation

A bioluminescent probe for detection of starvation-induced p...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yuxing Lin Lupei Du Mingyong Li State Key Laboratory of Microbial Technology Shandong University

Pantetheinase,a glycosylphosphatidylinositol（GPI） anchored enzyme,can hydrolysis pantetheine into cysteamine and pantothenic acid. Pantothenic acid is an essential material for the biosynthesis of coenzyme A（CoA）.Cysteamine can inhibit the γ-glutamylcysteine *** investigation of this enzyme indicated its link with the hepatic lipid metabolism,gluconeogenesis,and inflammation. Until now,very few analytic methods were developed for this enzyme so that hampered the further investigation of its biological *** this work,we developed a bioluminogenic probe for pantetheinase that has high sensitivity and specificity with a 1.14 ng/mL limit of *** also found our probe was able to monitor pantetheinase activity in cellullo and in transgenic mice *** administration of the specific inhibitor RR6 of pantetheinase could effectively quench the bioluminescence in the FVB-luc+ transgenic *** elevated the bioluminescence intensity of the transgenic mice due to the upregulation of the pantetheinase ***,our probe was further applied to reflect the activity of pantetheinase in mouse tissue homogenates and *** envisioned that our probe could be an efficient toolbox to investigate the biological function of the pantetheinase as well as to study its related diseases.

关键词： Bioluminogenic probe Pantetheinase Bioluminescence imaging

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Internal activation strategy enabled native chemical ligation in chemical protein synthesis

Internal activation strategy enabled native chemical ligatio...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yinglu Wang Qiang Zhang Suwei Dong State Key Laboratory of Natural and Biomimetic Drugs and Department of Chemical BiologySchool of Pharmaceutical SciencesPeking University Department of Chemistry University at Albany

Peptidyl thioesters or their surrogates with C-terminal β-branched hydrophobic amino acid residues usually exhibit poor reactivities in ligation reactions. Thus,activation using exogenous additives are required to ensure acceptable reaction efficiency. Herein,we report a traceless ligation at Val-Xaa sites under mild thiol additive-free reaction conditions,whereby the introduction of β-mercaptan on the C-terminal valine residue effectively activates the otherwise unreactive N-acyl-benzimidazolinone（Nbz）,and enables the use of a one-pot ligation-desulfurization strategy to generate the desired peptide products. The orthogonality between β-thiovaline-Nbz and a conventional alkyl thioester,as well as the convenient access to the former from readily available penicillamine,also allowed expedited assembly of peptidic hormone β-LPH and hPTH analogues,based on a kinetically controlled three segment ligation and desulfurization strategy.

关键词： Internal activation penicillamine thiol additive-free peptide ligation

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A redox-dependent copper carrier promotes copper accumulation and oxidative stress-mediated apoptosis in cancer cells

A redox-dependent copper carrier promotes copper accumulatio...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Junmin Zhang Dongzhu Duan Jianqiang Xu Jianguo Fang School of Pharmacy & State Key Laboratory of Applied Organic Chemistry Lanzhou University State Key Laboratory of Applied Organic Chemistry & College of Chemistry and Chemical Engineering Lanzhou University School of Life Science and Medicine Dalian University of TechnologyPanjin Campus

Transportation of exogenous copper ions into cancer cells by copper carriers has gaining increasing interests for cancer chemotherapy .We disclosed herein a redox-dependent copper carrier,2,2'-dithiodipyridine（DPy）,which binds copper ions and carries the-cargo into *** cellular reducing environment cleaved the disulfide bond in DPy to facilitate unloading copper *** elevated copper level then elicits oxidative stress and subsequently promotes the reformation of *** mechanistic studies revealed that DPy/copper combination predominantly targets the cellular redox-regulating systems,including the glutathione system and thioredoxin system,to induce oxidative stress-mediated apoptosis of cancer *** discovery of DPy as a novel cleavable and regenerable shuttle of copper ions provides a proof of concept for designing novel copper carriers as potential anticancer agents.

关键词： Redox Copper carrier Dithiodipyridine Oxidative stress Apoptosis Cancer cells

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Design and synthesis of potent and selective BRD4 inhibitors

Design and synthesis of potent and selective BRD4 inhibitors

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Shuo Yuan Si-Xi Wang Tongtong Li Jie Zhang Qiangyan Zhang Wen Zhao Bin Yu Hongmin Liu School of Pharmaceutical Sciences Zhengzhou University

BRD4 is one of the well-studied members of the bromodomain and extra-terminal（BET）motif proteins,which has been detected at many regulatory elements such as transcriptional enhancers via reading acetylated lysine residues on histone tails. As the epigenetic regulator recently identified as a therapeutic target for diverse human diseases,BRD4 can promote the key transcription of the c-MYC and Bcl-2 oncogenes. Many BRD4 inhibitors with different scaffolds have been reported in the literature,such as（+）-JQl,I-BET762,***,the discovery of novel potent BRD4 inhibitors still remains *** group have discovered potential BRD4 hit compound YS-206(IC= 259 nM) from our in-house *** SARs studies are currently ongoing in our lab to search more potent and selective BRD4 inhibitors.

关键词： BRD4 inhibitor epigenetic regulator Biaryl fragment

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Synthesis and characterisation of 2,3-diphenyl acrylonitrile derivatives as potential selective anticancer agents

Synthesis and characterisation of 2,3-diphenyl acrylonitrile...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yabing Xin Xin Liu Yushun Tian Key Laboratory of Natural Resources and Functional Molecules of the Changbai Mountain Affiliated Ministry of EducationCollege of PharmacyYanbian University

Cancer is becoming an increasingly important ***,finding new anticancer agents with higher potency and lower toxicity is a great *** the basis of our previous study,a series of novel（Z）-diaryl acrylonitrile derivatives were synthesised and evaluated for anticancer *** derivatives exhibited significant anti-proliferative activity against five cancer cell lines,including MGC-803 and *** them,（Z）-3-（p-tolyl）-2-（3,4,5-trimethoxyphenyl） acrylonitrile showed a strong inhibitory effect on MGC-803 cells(IC < 0.01μM) and exhibited stronger anti-proliferative activity than taxol(IC<0.06 ± 0.01μM).The compound inhibited proliferation of BEL-7402 cells by arresting at the G2/M phase through up-regulation of cyclin B1 expression,down-regulation of cyclin A and D1 expression and induction of apoptosis.

关键词： Diaryl acrylonitrile analogues selective toxic effect anticancer synthesis

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MolOpt:a web server for lead optimization using bioisosteric transformation

MolOpt:a web server for lead optimization using bioisosteric...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Changge Ji Shanghai Engineering Research Center for Molecular Therapeutics and New Drug Development School of Chemistry and Molecular EngineeringEast China Normal University NYU-ECNU Center for Computational Chemistry at NYU Shanghai

Bioisosteric replacement is widely used to create new compounds with similar biological properties in the process of drug *** of a suitable bioisosteric group is not a trivial task which requires a considerable amount of medicinal chemistry experience and calls for a demanding procedure of trial and *** methods can provide very useful help for the navigation of historical bioisosteric group space and identification of new bioisosteric transformation *** this work we present MolOpt,a web server for in silico drug design using bioisosteric transformation rules derived from data mining and similarity *** is useful for the navigation of historical bioisosteric group space and identification of new bioisosteric transformation *** automatically generates lists of analogues by replacing molecular substructures with chemical groups with similar biological *** resulting set of transformed analogues can be evaluated for possible future *** tries to assist the medicinal chemist in his/her search for what to make *** MolOpt Server is freely available for use on the web at http://***/.

关键词： Lead Optimization Bioisosteric transformation Computational drug design Web Server

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USP7:a promising target for cancer therapy

USP7:a promising target for cancer therapy

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第11届世界华人药物化学研讨会（iscmc 2018）

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

The deubiquitinating enzyme,ubiquitin-specific protease7（USP7）,plays a pivotal role in regulating the cellular *** aberrant USP7 has been implicated in the occurrence of cancer,including human prostate cancer,multiple myeloma and chronic lymphocytic *** the expression level of the USP7 was also directly associated with the tumor aggressiveness and predicted the poor *** particularly,USP7 has been reported regulation of ***,USP7 has attracted increasing attention as a validated oncology target for cancer therapy within the *** several USP7 inhibitors had been reported（Fig.1）,there are no clinical candidates so *** the importance of USP7 which acts on the oncogene and the urgent to discovery the novel USP7 inhibitors,modulation of USP7 activity has the potential to offer therapeutic benefit for the treatment of cancer.

关键词： USP7 antitumor p53-pathway USP7 inhibitors

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Biotin receptor and glucose transporter-mediated liposomes loaded with paclitaxel for breast tumor treating

Biotin receptor and glucose transporter-mediated liposomes l...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Qiming Yue Yanchi Pu Qiuyi Fu Yang Yang Li Hai Li Guo Yong Wu Key Laboratory of Drug Targeting and Drug Delivery Systems West China School of PharmacySichuan University

Breast cancer is one of the most frequently diagnosed malignancies in women worldwide,with an incidence that rises significantly with *** the rapid development of molecular biology,anti-tumor research has gradually turned to the era of targeting *** from previous chemotherapy,targeted therapy aims to overexpressed receptors on tumor cells,which can kill tumor cells efficiently and selectively,while reducing toxic and side ***,we designed and synthesized a series of derivatives as liposome ligands for preparing paclitaxel-loaded liposomes to achieve the effective delivery of drug formulations to breast tumor by sodium-dependent multivitamin transporter（SMVT） and glucose transporter 1（GLUT）.The activities and targeting in vitro showed that Bio+Glu-DTX-Lips significantly increased the accumulation of paclitaxel（PTX） in breast tumor cells,which suggested that Bio+Glu-DTX-Lips is an available drug delivery carrier with potential future application for breast tumor treatment.

关键词： biotin glucose breast tumor targeting liposomes

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Novel androgen receptor antagonists for prostate cancer treatment

Novel androgen receptor antagonists for prostate cancer trea...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Xi Xu Jinlei Bian Zhiyu Li Department of Medicinal Chemistry China Pharmaceutical University

Prostate cancer（PC） is the second most frequently diagnosed cancer and the major cause of cancer-related male death in *** activation of the androgen receptor（AR） signaling has a pivotal role for PC development,progression,and androgen-independent growth. Enzalutamide,the second generation AR antagonist,was approved by FDA in 2012 for the treatment of patients with bicalutamide-resistant castration resistant prostate cancer（CRPC）.Based on enzalutamide,two novel scaffolds indoline thiohydantoin and tetrahydroisoquinoline thiohydantoin were discovered as potent AR antagonists. Several new analogues exhibited robust biological profiles in AR binding and higher selective toxicity than enzalutamide toward LNCaP cells（AR-rich） versus DU145 cells（AR-deficient）.Especially,compound LDK404 exhibited promising anti-tumor activity in vitro and in vivo compared to *** importantly,it has been demonstrated that degree of permeability of blood-brain barrier to LDK404 was lower than that of enzalutamide,suggesting lower seizurogenic potential for *** summary,compound LDK404 can be a promising candidate for prostate cancer drug development.

关键词： prostate cancer androgen receptor enzalutamide

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