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Chiral ruthenium(Ⅱ) complexes as potential inhibitor against the growth of heptitic cancer via antiangiogenesis and DNA damage

Chiral ruthenium(Ⅱ) complexes as potential inhibitor agains...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Gengnan Yu Jieqiong Cao Yumei Li Qiong Wu Bowen Lian Wenjie Mei School of Pharmacy Guangdong Pharmaceutical University School of Chemistry Jinan University School of Public Health Guangdong Pharmaceutical University

Ruthenium complexes have long been demeonstrated as anticancer *** a chiral ruthenium complex have been prepared and the evaluation of in vivo inhibitory activities against tumor in mice revealed that ruthenium complex can inhibit the growth of hepatitic *** antiangiogenesis result demonstrated that ruthenium complex can inhibit the growth of new vessels and show great antiangiogenesis activity to tumor with low *** TUNEL analysis comet assays and DNA binding behaviour study shown that ruthenium complex could bind to double stranded-DNA and cause the DNA damage to induce the apoptosis of tumor cells. Taken together,these results suggested that ruthenium complex have potential application as anticancer and antiangiogenesis chemical drugs with a low toxicity.

关键词： ruthenium complex anticancer antiangiogenesis DNA damage low toxicity

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Design,synthesis and biological evaluation of novel indole-based hybrids

Design,synthesis and biological evaluation of novel indole-b...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Feifei Yang Liying Ma Hongmin Liu Collaborative Innovation Center of New Drug Research and Safety Evaluation Henan Province Key Laboratory of Advanced Drug Preparation Technologies(Zhengzhou UniversityMinistry of Education)

Cancer is the most serious human disease and one of the highest global *** people start to study and develop new anticancer drugs with physiological *** products play an important role in the processes of our human *** derived from therapeutic plants are indole alkaloids（Figure 1）.Indole nucleus contained in berberine have been used in the study of chemical chemistry and are considered to be a backbone with potential *** thiazole-contained compounds have been reported to possess some antibacterial,anticonvulsant,antifungal,antiviral and anticancer ***,based on the concept of molecular hybridization,we designed and synthesized a series of hybrids of indole-azole based tertiary amine,which are so easy to salt that we can study the inhibitory activity of the *** of the target compounds exhibited good anticancer activity against the gastric cancer cell *** mechanism investigations are under way and will be reported in due course.

关键词： LSD1 Cancer indole structure terminal alkynes tertiary amine

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Design,synthesis,and structure-activity relationship of novel pan HDAC inhibitors based on indole

Design,synthesis,and structure-activity relationship of nove...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Zhangxu He Chen Liu Yi Ying Wang Liying Ma Hongmin Liu Collaborative Innovation Center of New Drug Research and Safty Evaluation Henan Provinceschoolof Pharmaceutical SciencesZhengzhou University

Histone deacetylases（HDACs） are being increasingly used as targets for chemotherapeutic intervention in *** removes an acetyl group,resulting in a compact chromatin state and thereby silencing gene *** approvals of HDAC inhibitors for the treatment of T-cell lymphoma and multiple myeloma（Figure 1）.HDAC inhibitors reported are commonly associated with dose-limiting *** design better HDACi's,it is essential to understand the structural regions necessary for *** triad of cap/linker/zinc-binding group（ZBG） is typically found in all potent HDACi's,such as *** cap region interacts with the rim of the enzyme,whereas the linker enters the deep hydrophobic tunnel to properly position the ZBG in the catalytic *** have found that HDAC is highly expressed in MGC803 cells,designed a series of derivatives containing indole that have been shown to have potent inhibitory activity.

关键词： HDACs ZBG MGC803 cells Indole

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Efficient syntheses of alpha-and beta-C-nucleosides and the origin of anomeric selectivity

Efficient syntheses of alpha-and beta-C-nucleosides and the ...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Tongchao Liu Zhengdan Zhu Peng Wei Dongmei Zhao Maosheng Cheng Jingkang Shen Weiliang Zhu Bing Xiong Yuelei Chen Key Laboratory of Structure-Based Drug Design and Discovery of Ministry of Education Shenyang Pharmaceutical University State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of Sciences

C-Nucleosides constitute a valuable class of compounds in biological and medicinal chemistry studies. We report herein a new and efficient syntheseis of both alpha-and beta-C-nucleosides with high anomeric selectivity from N-Boc protected purine analogues（Scheme 1）.The synthetic approach features carefully designed lithiation and silane reduction *** anomeric stereochemistry outcome is dictated by the protecting group of sugar *** studies suggest that previously neglected interactions between partially positively-charged silane and the substitutions on sugar moiety play important roles in the anomeric selectivity of silane-mediated C-nucleoside synthesis.

关键词： C-Nucleosides anomeric selectivity N6-Boc protected purine analogues

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Design,synthesis,and evaluation of carboxyl-modified oseltamivir derivatives with improved lipophilicity as neuraminidase inhibitors

Design,synthesis,and evaluation of carboxyl-modified oseltam...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Boyu Wang Kuanglei Wang Peipei Meng Yaping Hu Fei Yang Kemin Liu Zaiqiang Lei Binfeng Chen Yongshou Tian Key Laboratory of Structure-Based Drug Design and Discovery Ministry of EducationShenyang Pharmaceutical University Wuyi University

In this study,a series of carboxyl-modified oseltamivtr analogs with improved lipophilicily were designed and synthesized,and their inhibitory activities against neuraminidase from influenza A virus H5 N1 subtype were *** results demonstrated that compound 5 m exhibited potent inhibitory activity(IC = 1.30 ± 0.23 μM),and it targeted the recently discovered *** Sm（Log D =-0.12） is more lipophilic than oseltamivir carboxylate（Log D =-1.69） at pH 7.4,which is potentially propitious to improved membrane permeability and oral drug ***,Sm showed high stability in human liver *** findings of this study can be valuable in identifying neuraminidase inhibitors with optimal lipophilicily and in the exploration of 430-cavity.

关键词： Influenza virus Neuraminidase inhibitors Oseltamivir derivatives

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Discovery of novel carbonic anhydrase small molecule inhibitors via dual-tail approach and their structure activity relationship analysis

Discovery of novel carbonic anhydrase small molecule inhibit...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Zhuang Hou Yitong Wang Qingfei Zhou Miao Zhang Shuang Hao Yang Liu Chun Guo Key Laboratory of Structure-Based Drugs Design and Discovery(Ministry of Education) School of Pharmaceutical EngineeringShenyang Pharmaceutical University

Dual-tail approach was employed to design novel Carbonic Anhydrase(CA) inhibitors by simultaneously matching the hydrophobic and hydrophilic halves of the active site,which also contains a zinc ion as part of the catalytic *** classic sulfanilamide moiety was kept as the zinc binding group.A glucuronic acid fragment was chosen as the hydrophilic part and a coumarin fragment as the hydrophobic part in order to draw favorable interactions with the corresponding halves of the active *** comparison with sulfanilamide alone which is largely devoid of the hydrophilic and hydrophobic interactions with the two halves of the active site,the compounds so designed and synthesized in this study showed 10,000-fold improvement in binding *** effectiveness of those compounds was elucidated by both the experimental data and molecular docking simulations.

关键词： Carbonic anhydrase inhibitors Dual-tail approach Hydrophilic half Hydrophobic half

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The discovery of novel selective CXCR2 antagonists by using ligand-based pharmacophore model

The discovery of novel selective CXCR2 antagonists by using ...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Jinxin Che Zhilong Wang Haichao Sheng Youhong Hu Xin Xie Xiaowu Dong Yongzhou Hu ZJU-ENS Joint Laboratory of Medicinal Chemistry College of Pharmaceutical SciencesZhejiang University CAS Key Laboratory of Receptor Research the National Center for Drug ScreeningShanghai Institute of Materia MedicaChinese Academy of Sciences State Key Laborarory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of Sciences

Recently a growing interest has been shown for the CXC chemokine receptor 2（CXCR2）,due to their involvement in metastasis and immune physiology. In our study,compound D45 was identified with pharmacophore model which showed potent CXCR2 antagonist activity with an IC value of 10 nM,910-fold selectivity against CXCR1,90% bioavailability in rat and good in vitro anti-tumor metastatic effect in wound healing assay.

关键词： Tumor metastasis Immune suppression CXC chemokine receptor 2 Selective Pharmacophore model Bioavailability

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Development of selective G protein inhibitors

Development of selective G protein inhibitors

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Qilong Hu Jian Li Xiaofeng Xiong School of Pharmaceutical Sciences Sun Yat-sen University

G proteins act as molecular switches in a number of G protein-coupled receptor signaling pathways,and are key mediators for numerous of important physiological *** cyclic depsipeptide YM-254890,together with its structural similar depsipeptide FR900359,are the only known selective inhibitors of the Gq subfamily of G *** have recently reported the first total synthesis of YM-254890 and FR900359,followed by preparing analogues to perform the structure-activity relationship *** we reported the first systematic structure-activity relationship study towards the N-methyldehydroalanine motif in YM-254890,by designing and synthesizing new *** characterization of the seven compounds at Gq-,Giand Gs-mediated signaling showedsimplified analogue YM-19 was the most potent Gq inhibitor,while the other analogues had no obvious inhibition on Gq *** study provides information for future designing of potent and simplified YM-254890 analogues.

关键词： G protein depsipeptide natural product inhibitor structure-activity relationship study

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Discovery of peptide borate derivatives as histone deacetylase(HDAC) and proteasome dual inhibitors for cancer treatment

Discovery of peptide borate derivatives as histone deacetyla...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yi Zhou Xinying Yang Hao Fang Department of Medicinal Chemistry Key Laboratory of Chemical Biology(Ministry of Education)School of PharmacyShandong University

Single use of HDAC inhibitors failed to show satisfied clinical benefits in cancer *** dozens of clinical researches of combination of HDAC inhibitor and other anti-tumor agents were carried *** most successful combination,panobinostat(HDAC inhibitor),bortezomib(the first launched proteasome inhibitor) and dexamethasone,was approved by FDA in 2015 for the treatment of multiple myeloma(MM).Therefore,we designed and synthesized a series of target compounds as dual inhibitors targeting both HDAC and proteasome(Fig.1 A).In biological evaluations,ZY-1 showed potent enzymatic inhibitory activities and excellent antitumor activities(Fig.1 B-E).

关键词： histone deacetylase proteasome dual inhibitor anti-tumor

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In vivo high-throughput chemical screens using zebrafish larvae

In vivo high-throughput chemical screens using zebrafish lar...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Guangxi Han Gaopan Dong Xiang Li Minyong Li Lupei Du Department of Medicinal Chemistry Key Laboratory of Chemical Biology(MOE)School of PharmacyShandong University

Recently,high-throughput phenotypic screen in zebrafish embryos provides unique advantages in the early drug discovery,because zebrafish embryos are genetically tractable,easy to manipulate,and can be generated in large *** addition,zebrafish as a complex vertebrate with high genetic homology to mammals have also gained increasing acceptance as a preliminary/complementary approach to lead compound discovery via phenotypic *** screens have expanded beyond the use of developmental phenotypes to include behavioral,cardiac,metabolic,proliferative and regenerative ***,many creative strategies have been used to discover the mechanisms of action of new small molecules including chemical phenocopy,genetic phenocopy,mutant rescue,and spatial localization ***,zebrafish emerged as a leading model of in vivo phenotypic screens,and efficient method to identify lead compounds that modulate specific biological processes.

关键词： zebrafish embryos high-throughput phenotypic screen drug discovery phenotypic screens

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