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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）"

共 414 条记录，以下是171-180 订阅

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Novel HIV-1 non-nucleoside reverse transcriptase inhibitors:optimizing diarylpyrimidines targeting at W229 and F227

Novel HIV-1 non-nucleoside reverse transcriptase inhibitors:...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yali Sang Tingting Li Erik De Clercq Christophe Pannecouque Ge Meng Fener Chen Engineering Center of Catalysis and Synthesis for Chiral Molecules Department of ChemistryFudan University Shanghai Engineering Center of Industrial Asymmetric Catalysis for Chiral Drugs Rega Institute for Medical Research KU Leuven

To cope with the drug-resistance resulted from the mutation of HIV reverse transcriptase（RT）,this paper was focused on optimizing diaryipyrimidine（DAPY） analogs containing biphenyl *** enhanced interactions between the target molecules and HIV-1 RT were achieved by targeting at the highly conserved amino acid residues（i.e.,Phe227,Trp229） as well as via increasing the π-π interactions between biphenyl skeleton with Tyr181,Tyr188 in the non-nucleoside inhibitor binding pocket（Figure 1）.Most of these target compounds displayed the high selectivity index value（SI,ratio CC50/EC50） and potent activity with low nanomolar EC50 values against WT and mutant HIV-1 strains（Table 1）.

关键词： HIV-1 reverse transcriptase diarylpyrimidines biphenyl

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Design,synthesis and antiproliferative evaluation of tetrazanbigen(TNBG) water soluble derivatives for the treatment of hepatocellular carcinoma

Design,synthesis and antiproliferative evaluation of tetraza...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Zongjie Gan Xiang Chen Linling Gan Peiming Zhang Yaowei Li Yu Yu Department of Medicinal Chemistry College of PharmacyChongqing Medical University Chongqing Key Laboratory of Biochemistry and Molecular Pharmacology Chongqing Medical University

Tetrazanbigen（TNBG,Figure 1）,a novel small molecule with sterol structure,exhibited strong antitumor efficacy against HCC cell lines,including QGY-7701,HepG-2 with a ICof 7.4 μM and 8.2 μM,*** mechanism associated with TNBG's antitumour effects probably owing to the disturbing of the lipid metabolism balance by causing lipid accumulation in cancer ***,poor water solubility limits TNBG from further clinical ***,introducing hydrophilic group into TNBG core structure so as to increase the water-solubility and improve the oral bioavailability while maintaining or increasing the anti-tumor activity is the goal of our *** a result,TNBG-003 was found to be a potent(HepG2,IC=7.8 μM) and water soluble antitumor compound（water solubility 1 S.68 mg/mL） compared to TNBG（water solubility 0.72 mg/mL）.The further studies on biological activity of this compound are now in process.

关键词： TNBG derivative water-solubility anti-hepatoma

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Synthesis of novel N-carboxymethyl rhodanine derivatives as potential PTP1B inhibitors

Synthesis of novel N-carboxymethyl rhodanine derivatives as ...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者：张林豪孙良鹏李佳朴虎日 College of Pharmacy Yanbian University Chinese National Center for Drug Screening Shanghai Institute of Materia Medica

Protein tyrosine phosphatase 1 B（PTP1 B） has recently been identified as new drug target for type II diabetes and obesity due to it is a negative regulator of the insulin and leptin-signaling pathway.A useful and commonly adopted strategy in the design of PTPIB inhibitors is to insert nonhydrolysable pTyr-mimetic groups that are able to replicate the interactions of pTyr residue with the active site of the enzyme onto different optimal templates .Based on the structure of the known pTyr-mimetic group 1 ,we have designed N-carboxymethyl rhodanine 2 as a biomimetic replacement for the phosphate *** a starting point toward this goal,we have utilized structure-based design methods to design and synthesize a series of compounds,and identified them as reversible and competitive PTPIB *** the compounds studied,compound 3 showed the most potent PTP1 B inhibitory potency(IC = 0.36 ± 0.02 μM).

关键词： rhodanine PTP1B inhibitor

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Glycosylated platinum(Ⅳ) complexes as substrates for glucose transporters(GLUTs) and organic cation transporters(OCTs) exhibited cancer targeting and human serum albumin binding properties for drug delivery

Glycosylated platinum(Ⅳ) complexes as substrates for glucos...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Jing Ma Hanfang Liu Dong Fang Hua Sun Songqiang Xie Chaojie Wang Institute of Chemical Biology College of PharmacyHenan University The Key Laboratory of Natural Medicine and Immuno-Engineering Henan University

Olycosylated platinum（Ⅳ） complexes were synthesized as substrates for GLUTs and OCTs for the first time,and the cytotoxicity and detailed mechanism were determined in vitro and in vivo.[1-3]Galactoside Pt（Ⅳ）,glucoside Pt（Ⅳ）,and mannoside Pt（Ⅳ） were highly cytotoxic and showed specific cancer-targeting properties in vitro and in *** platinum（Ⅳ） complexes 5,6,7,and 8(IC 0.24-3.97 μM) had better antitumor activity of nearly 166-fold higher than the positive controls cisplatin（1 a）,oxaliplatin（3 a）,and satraplatin（5 a）.Their preferential accumulation in cancer cells compared to noncancerous cells（293 T and 3 T3 cells） suggested that they were potentially safe for clinical therapeutic use.

关键词： Glycosylated Platinum(Ⅳ) Complexes Glucose Transporters(GLUTs) Organic Cation Transporters(OCTs) Cancer Targeting Human Serum Albumin Binding

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Design,synthesis,and evaluation of benzofuran derivatives as novel anti-pancreatic carcinoma agents via interfering the hypoxia environment by targeting HIF-1α pathway

Design,synthesis,and evaluation of benzofuran derivatives as...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Qichao Bao Xiaoli Xu Xiaojin Zhang Qidong You State Key Laboratory of Natural Medicines and Jiangsu Key Laboratory of Drug Design and OptimizationChina Pharmaceutical University Department of Medicinal Chemistry School of PharmacyChina Pharmaceutical University Department of Organic Chemistry School of ScienceChina Pharmaceutical University

Pancreatic ductal adenocarcinoma(PDAC) is one of the most common type of pancreatic cancer,which has still been the medicinal *** drugs and treatment strategies are urgently *** mis study,32 benzofuran derivatives are designed,synthesized and evaluated as potential agents against the pancreatic *** them,compound 9 o with the best physicochemical and pharmacokinetic properties exhibited excellent cytotoxicity against many tumor cell *** vivo study showed that compound 9 o dramatically suppressed the tumor growth of nude ***,compound 9 o could affect the hypoxia environment through Hif-1α/VEGF pathway,resulting in the anti-angiogenic *** studies indicated compound 9 o was a promising candidate for the treatment of PDAC,deserving further studies.

关键词： Benzofuran derivatives Antitumour activity Structure-activity relationships Apoptosis HIF-1α pathway

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Novel pazopanib-based HDAC and VEGFR dual inhibitors as anticancer agents

Novel pazopanib-based HDAC and VEGFR dual inhibitors as anti...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Jie Zang Xuewu Liang Yongxue Huang Yuping Jia Xiaoyang Li Wenfang Xu C.James Chou Yingjie Zhang Department of Medicinal Chemistry School of Pharmaceutical of ScienceShandong University

A novel series of pazopanib hybrids as poiypharmacological antitumor agents were developed based on the crosstalk between HDACs and VEGF *** them,one ortho-aminoanilide 6 d exhibited considerable total HDACs and VEGFR-2 inhibitory *** HDAC inhibitory activities endowed 6 d with potent antiproliferative activities,which was not observed in the approved VEGFR inhibitor *** 6 d possessed comparable HDAC isoform selectivity profiles to the clinical class I HDAC inhibitor MS-275.6 d also exhibited uncompromised multiple tyrosine kinases inhibitory activities relative to *** intracellular dual inhibition to HDAC and VEGFR of 6 d was validated by western blot *** both HUVECs tube formation assay and rat thoracic aorta rings assay,6 d showed comparable antiangiogenic potencies to ***'s more,6 d possessed desirable pharmacokinetic profiles with the oral bioavailability of72%in SD rats and considerable in vivo antitumor efficacy in a human colorectal adenocarcinoma(HT-29) xenograft model.

关键词： HDAC VEGFR Polypharmacology Pazopanib Antitumor

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Development and application of kinase-focused library:design and synthesis of pyrimidine derivatives bearing amino substituents utilizing high throughput parallel synthesis

Development and application of kinase-focused library:design...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Muchun Li Wenchieh Wang Guanlin Huang Hsingpang Hsieh Institute of Biotechnology and Pharmaceutical Research Health Research Institutes Department of Chemistry Tsing Hua University Value-Added MedChem Innovation Center Institute of Biotechnology and Pharmaceutical ResearchHealth Research Institutes

Since imatinib（Gleevec） was first launched in 2001,the search for inhibitors of protein kinase has become a tremendous interest area of drug ***,researchers continually seek methodologies and technologies to discover drugs more *** order to accelerate drug discovery,the application of high throughput parallel synthesis（HTPS） has been flourishing in recent *** the other hand,pyrimidine derivatives bearing amino substituents have been of multifold biological and pharmacological interest *** reaction has been well utilized as a practical and efficient synthetic protocol in medicinal ***,a kinase-focused library of pyrimidine derivatives was rapidly synthesized in parallel reactor viaS_nAr displacement and the progress of all reactions was monitored by UPLC and *** library compounds were further screened for kinase activities leading to the identification of interest

关键词： kinase-focused library parallel synthesis pyrimidine derivative

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Synthesis,structure,antitumor activity and DNA interaction of aryl ruthenium(Ⅱ) with plumbagin from chinese traditional medicine plumbago zeylanica

Synthesis,structure,antitumor activity and DNA interaction o...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Meiquan Ou Zhenfeng Chen State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources Schooool of Chemistry and PharmacyGuangxi Normal University

Tumor hazards to people's *** is a hot research topic at home and abroad to seek new anti-tumor drugs with low toxicity and high drug resistance,which can target cancer *** ruthenium(II) compounds are a kind of anticancer drugs that have low efficiency and *** anticancer effective of aryl ruthenium(II) compounds have been widely *** this paper,two novel aryl ruthenium(II) compounds were synthesized by plumbagin,an anticancer effective constituent of Plumbago Zeylanica and aryl *** structures were identified by NMR,ESI-MS,IR,Elemental *** MTT methods analyzed the anticancer effective in vitro of plumbagin and its two aryl ruthenium(II) compounds in five tumor cell lines,including7702,Hela,AS49,HepG2,*** results showed that plumbagin combined with aryl ruthenium(II).The compounds cytotoxic activity was significantly increased.

关键词： Plumbagin Aryl ruthenium Anticancer effective Anticancer drugs Tumor

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Molecular design,synthesis and evaluation of the chimeric degraders targeting EGFR protein in NSCL cancer

Molecular design,synthesis and evaluation of the chimeric de...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Wenbing Wang Nengju Mi Xingxian Zhang College of Pharmaceutical Sciences Zhejiang University of Technology

Inducing protein degradation by small molecules is a novel strategy for drug ***,we have developed several PROTACs(Proteolysis Targeting Chimeras) to induce proteasomal degradation of target *** approach employs heterobifunctional molecules capable of recruiting target proteins to the cellular quality control machinery,thus leading to their ***'s more,these compounds are composed of two ligands connected by a linker,one ligand for the protein of interest and the other for an E3 ubiquitin ***,we have successfully finished one of the E3 ubiquitin ligase *** addition,we investigated the epidermal growth factor receptor(EGFR) as another ligand,which broken through in targeted cancer therapy and marked a drastic change in the treatment of non-small cell lung *** next performed further modifications of the linker that determined the optimal linker *** work has unveiled new understanding about how PROTACs work that has the potential to impact their translation into novel chemical tools and future therapeutics.

关键词： PROTAC E3 ubiquitin ligase EGFR CRBN

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Inhibition of influenza virus infection by multivalent betulinic acid grafted on CD cores

Inhibition of influenza virus infection by multivalent betul...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yingying Chen Man Li Haiwei Li Shuobin Liang Zhenyu Tian Dezhong Ji Sulong Xiao State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking University

Multivalent effect plays an important role in biological process,particularly in the specific recognition of virus with its host cells during its first step of the *** this study,a series of multivalent betulinic acid grafted on cyclodextrin core has been synthesized and potency of against influenza entry activity has been evaluated.A cell-based assay showed that compound 52 exhibited strong inhibitory activity against influenza A virus with IC50 of 12.08 μ*** time-of-addition assay showed that compound 52 inhibited the entry of influenza virus into host *** hemagglutination inhibition and surface plasmon resonance assays indicated that compound 52 is tightly bound to H1 N1 protein with a dissociation constant of 0.351 *** results established a strategy for the design of new pharmaceutical agents based on multivalency so as to block influenza virus entry into host cells.

关键词： multivalent effect influenza virus entry inhibitors hemagglutinin betulinic acid

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