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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 and synthesis of novel 2,4,6-substituted pyrimidine derivatives as potential antitumor agents

Design and synthesis of novel 2,4,6-substituted pyrimidine d...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Na Li Jingchao Xin Yaqi Meng Erdong Li 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

Cancer is a leading cause of death worldwide,the development of new drugs that are safe and efficient has been one of the biggest challenges in combating cancer Nowadays,numerous studies have been made to show the biological significance of different pyrimidine *** moiety is one of the essential classes of N-containing heterocycles and extensively used as key building blocks for pharmaceutical *** this paper,we used 4,4,4-trifluoromethylacetoacetate and thiourea as starting materials and obtained a series of novel 2,4,6-substituted pyrimidine derivatives through cyclization and substitution *** the compounds have been confirmed by H-NMR,C-NMR and ***,we evaluated for their antitumor activities by using MTT assay in *** compound 4 g {N-(（4-ethylphenyl）carbamoyl)-2-((4-(（4-methoxvphenyl）amino)-6-（trifluoromethyl）pyrimidin-2-yl)thio)acetamide} had good anti-tumor activity against SW-620 with IC value of1.46 μM which was better than 5-fluorouracil（10.32 μM）.

关键词： synthesis fluorine urea block pyrimidine antitumor

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Target identification of bioactive molecules via an affinity-based proteome profiling approach

Target identification of bioactive molecules via an affinity...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Dongsheng Zhu Ke Ding Zhengqiu Li School of Pharmacy Jinan University

Venetoclax(ABT-199) and idasanutlin(RG7388) are efficient anticancer drugs targeting two essential apoptosis markers,Bcl-2 and MDM2,*** studies have shown that the combination of these two drugs leads to remarkable enhancement of anticancer efficacy,both in vitro and in vivo.[1]In an attempt to disclose the relationships of their protein targets,competitive affinity-based proteome profiling coupled with bioimaging was employed to characterize their protein targets in the same cancer cell line and tumor tissue.[2]A series of protein hits were successfully identified by pulldown/LC-MS/MS and validated by pull-down/WB and enzymatic *** proteins are possible off-targets and may be the reason for drug *** imaging was performed to simultaneously detect the activity/expression of apoptosis markers in various cancer cells,which could facilitate dual targeting diagnosis and *** simultaneous investigation of the cellular and tissue targets of combination drugs in this way could be extended to many other pairs of combination drugs to study the relationships of their protein *** approach was also applied in various bioactive molecules in target identification by our group.[3]

关键词： Affinity-based probes Antitumor agents Apoptosis biomarkers Combination drugs Target identification

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Discovery of novel inhibitors of vascular endothelial growth factor-2 interaction by structure-based virtual screening

Discovery of novel inhibitors of vascular endothelial growth...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Jingwei Liang Shan Wang Xinyang Li Mingyang Wang Fanhao Meng Department of Medicinal Chemistry School of PharmacyChina Medical University

Vascular endothelial growth factor receptor-2（VEGFR-2） plays a crucial role in the process of cancer ***993 been discovered as potent and selective VEGFR-2 inhibitors,which binds to the inactive "DFG out" conformation of the VEGFR-2 kinase,in addition to hydrogen bonds formed with residues C919,E885,and D1046,the inhibitor makes a key hydrophobic inter-action with residue V916,the "gate keeper" residue.A series of uracil derivatives were prepared and found to be good inhibitors of *** inhibitory activities were investigated against VEGFR-2 kinase in *** A7(N'-（3-methylphenyl）-3-（uracil-5-carboxamido） benzoyl hydrazine) exhibited the most potent inhibitory activity(IC= 22.9 nM for VEGFR-2 kinase).Docking simulation supported the initial pharmacophoric hypothesis and suggested a common mode of binding to the inactive "DFG out" conformation of the VEGFR2 kinase,which demonstrates that compound A7 is a potential agent for cancer therapy deserving further researching.

关键词： vascular endothelial growth factor receptor-2 structure-based virtual screening inhibitors

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Asymmetric synthesis of chiral acyclic purine nucleosides containing a hemiaminal ester moiety

Asymmetric synthesis of chiral acyclic purine nucleosides co...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Mingsheng Xie Xiaoxia Wu Dongchao Wang Guirong Qu Haiming Guo Henan Key Laboratory of Organic Functional Molecules and Drug Innovation School of Chemistry and Chemical EngineeringHenan Normal University

Nucleosides,containing sensitive N-glycosidic bonds,represent crucial building blocks of biological *** nucleosides,in which the D-ribose moiety of the nucleoside is replaced by an acyclic chain,have demonstrated significant antivirus and antitumor activities.l-Acyloxyalkyl-5-fluorouracil exhibits antitumor activities due to the presence of a labile hemiaminal ester moiety that may be cleaved in vivo to generate ***,developing new methods to synthesize chiral acyclic nucleosides remains a critical scientific *** the context of our ongoing projects in design and synthesis of nucleoside drugs and its analogues,we report an efficient route to construct chiral acyclic purine nucleosides containing a hemiaminal ester moiety via three-component dynamic kinetic resolution of purines,aldehydes,and acid *** procedure provides diverse chiral acyclic purine nucleoside analogues in a regioselective manner with good yields（up to 93%yield） and excellent enantioselectivities（up to95%ee）.Furthermore,the chiral acyloxyalkyl-5-fluorouracil could also be generated as a potential prodrug of 5-fluorouracil.

关键词： Acyclic nucleosides Hemiaminal ester Dynamic kinetic resolution

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Identification of dihydrofuro[3,4-d]pyrimidine derivatives as novel HIV-1 NNRTIs with promising antiviral activities and optimal physiochemical properties

Identification of dihydrofuro[3,4-d]pyrimidine derivatives a...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Dongwei Kang Zhao Wang Gaochan Wu Peng Zhan Xinyong Liu Department of Medicinal Chemistry Key Laboratory of Chemical BiologyMinistry of EducationSchool of Pharmaceutical SciencesShandong University

To address drug resistance caused by the first and second generation HIV-1 non-nucleoside reverse transcriptase inhibitors（NNRTIs）,in this work,five novel structurally novel classes of alicyclic fused pyrimidine derivatives were designed and synthesized utilizing scaffold hopping and conformation-optimized *** them,the dihydrofuro[3,4-d]pyrimidine derivatives 8 c2 and 8 c4 proved to be exceptionally potent against a wide range of single NNRTI-resistant strains(EC=0.9-8.4 nM),which were remarkably superior to that of Etravirine（ETV）.Meanwhile,both of them exhibited comparable activities toward double mutations F227 L+V106 A and ***,8 c2 showed a favorable pharmacokinetic properties with an oral bioavailability of 30.96%and a half-life of 11.1 *** of which demonstrated that 8 c2 is worthy of further investigation as a novel NNRTIs drug candidate to circumvent drug resistance.

关键词： HIV-1 NNRTIs DAPY Dihydrofuro[3,4-d]pyrimidine

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Design,synthesis and bioactivity studies of new selective inhibitors of discoidin domain receptors(DDR1/DDR2)

Design,synthesis and bioactivity studies of new selective in...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Xiaoyun Lu Zheng Wang Dongsheng Zhu Ke Ding School of Pharmacy Jinan University

Discoidin domain receptors(i.e.,DDR1 and DDR2) are transmembrane receptor tyrosine kinases(RTKs) that specifically recognize fibrillar collagens as extracellular ***1 and DDR2 are highly involved in fundamental cellular processes,including cell proliferation,migration,adhesion,and matrix *** dysregulation of DDR1 and DDR2 has been linked to a variety of diseases such as fibrotic disorders,osteoarthritis and atherosclerosis among ***,DDR 1/2 are new potential molecular targets for drug *** have previously discovered two series small compounds as selective DDR1 ***,although there is a significant crosstalk in the functions of DDR1 and DDR2,they also demonstrate distinct *** will be interesting to know the biological outcome of selective DDR1 inhibitors,selective DDR2 inhibitors and DDR1/2 dual inhibitors in different models,such as human cancer and inflammatory disorder *** investigation will provide the foundation for further validation of DDRs as new molecule targets for drug discovery.

关键词： Discoidin Domain Receptors Selective inhibitor Design and Synthesis Anti-cancer Anti-inflammatory

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Synthesis and cytotoxicity study of triazole substituted neocrotocembraneic acid derivatives

Synthesis and cytotoxicity study of triazole substituted neo...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Hai Shang Weihua Cheng Hong Chen Zhongmei Zou Institute of Medicinal Plant Development Chinese Academy of Medical Sciences and Peking Union Medical College Pharmacognosy Division Medical College of Chinese People's Armed Police Force

In our previous work,neocrotocembraneic acid showed modest cytotoxic activity against HeLa ***,this natural product has a high content in *** Vahl.（0.7%of the plant's dry weight） which laid the material foundation for the structural *** stimulated us with great interest to focus on structural modification of neocrotocembraneic acid in order to obtain the structure-activity relationship and find novel derivatives with potential antitumor *** this work,a series of triazole substituted neocrotocembraneic acid derivatives were synthesized and the structures were characterized by H-NMR、C-NMR and *** cytotoxicity in vitro was evaluated for HeLa,K562 and K562/A02 cells by MTT *** results showed that some derivatives exhibited anti-tumor ***,compound 2 f showed promising antitumor activity against drug-resistant cell line K562/A02,indicating that it possessed a great potential for further development as a multidrug resistance modulator by structural modification.

关键词： cembranoid type diterpene neocrotocembraneic acid structural modification antitumor activity anti-multidrug resistance

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Novel HIV-1 non-nucleoside reverse transcriptase inhibitors:optimizing diarylpyrimidines with a connecting arm of cyano group

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

Acquired immunodeficiency syndrome（AIDS） is caused by infection with the human immunodeficiency virus type 1（HIV-1）.Non-nucleoside reverse transcriptase inhibitors（NNRTIs） constitute an important part of the highly active antiretroviral therapy（HAART）.However,amino acid mutation in RT can lead to the drug resistance,there is consequently a considerable need for novel NNRTIs with the broader mutant coverage and the improved *** on the previous study of cyano-CH-DAPYs and the relative 3 D-QSAR analysis,this paper focused on the optimization of DAPY analogue on the left-wing aromatic ring with a connecting arm of cyano *** the critical interactions between the inhibitor and HIV-1 RT NNIBP,the triple bond of the cyano group might be benefit for improving π-π stacking effect between the electron-deficient pyrimidine ring of the inhibitors and the electron-rich phenyl ring of Tyr188 or Tyr181 in *** predicted binding model of the typical target compound was analyzed via docking *** biolgical evaluation of the target compounds were being undertaken to verify this designing strategy.

关键词： HIV-1 Reverse transcriptase Cyano-CH2-DAPYs

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Novel CDK inhibitors induces immunogenic cell death and enhances anti-PD1-mediated tumor suppression

Novel CDK inhibitors induces immunogenic cell death and enha...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Pingyan Bie Qi Cao Leitao Zhang Dongliang Guan Institute of Medicinal Chemistry Zhejiang Hisunpharmaceutical Co.LTD

Blockade of the checkpoint inhibitor programmed death 1(PD1) has demonstrated remarkable success in the clinic for the treatment of *** studies found that immunogenic cell death(ICD) improves T cell responses against different tumors,thus indicating that ICD may further augment antitumor immunity elicited by *** is also shown that CDK inhibitors may additionally regulate tumor and immune cell-intrinsic immunosuppressive mechanisms via modulation of checkpoint *** is currently being tested in combination with the anti-PDl Ab pembrolizumab in patients with hematological malignancies or advanced breast cancer(*** identifiers NCT02684617 and NCT01676753).Therefore a series of 5-substituted 3-cylcopropyl-7-[4-(2-pyridyl)benzyl]amino-l(2)H-pyrazolo[4,3-d]pyrimidine derivatives was synthesized and evaluated for their cyclin-dependent kinase(CDK) inhibition activity and antitumor activity in combination therapy with anti-PD1 Ab in several murine syngeneic tumor *** these finding would provide novel drug candidates and tools for cancer immunotherapy.

关键词： anti-PD1 tumor suppression immunogenic cell death cyclin-dependent kinases inhibitors

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A review of existing research and extraction methods for natural medicines——taking traditional Chinese medicine as an example

A review of existing research and extraction methods for nat...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Long Zhang Department of pharmacy School of Chinese Materia MedicaShanghai University of Traditional Chinese Medicine

Natural medicines refer to animal medicines,plant medicines and mineral medicines that have been proved to have certain pharmacological activities by modern medicine *** medicines are mainly derived from plants,animals,marine animals and plants,and *** have emerged since the existence of human *** simultaneously with human development,the research level of natural medicines is also *** rapid development and shaping of modern and contemporary chemical drugs have played an important role in the history of human development Natural drug research has slowed down and even *** recent years,with the in-depth reflection of the relationship between man and nature,natural medicine has been recognized as effective and low-toxic for the treatment of human ***,the study of natural drugs has developed rapidly in a short period of *** methods for extracting Chinese medicines mainly include supercritical fluid extraction technology,ultrasonic extraction technology,microwave extraction technology,enzymatic method,and semi-bionic extraction *** article reviews the existing research on traditional Chinese medicine and the extraction methods of existing natural medicines to provide further directions for follow-up studies.

关键词： natural medicines Traditional Chinese medicine extraction methods

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