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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181-190 订阅

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Liposomes with active recognizing of glucose transporter GLUT1 and integrin αvβ3 for dual-targeting glioma

Liposomes with active recognizing of glucose transporter GLU...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Xinling Yu Yizhao Qiming Yue Yao Peng Qiuyi Fu Li Hai Li Guo Yong Wu Key Laboratory of Drug Targeting and Drug Delivery Systems West China School of PharmacySichuan University

With the formation and development of glioma,in addition to the blood-brain barrier（BBB）,the blood-brain tumor barrier（BBTB） could also prevent drugs entering into the tumor *** is mainly transported across the BBB through the glucose transporters 1（GLUT）.And it is worth noting that the glycolysis rate of tumor cells is 200-fold higher than that of normal tissue cells,which leads to the over-expressed GLUT on tumor cell surface to maintain the energy ***'s more,RGD peptide was widely used in drug delivery system as tumor-targeted ligand to achieve the targeted therapy of tumor. In this study,a dual-glioma targeting liposome ligand（Glu-RGD-Chol） co-modified with glucose and RGD peptide was designed and synthesized（Fig.1）.Tthe results showed that Glu-RGD-Lip achieved the strongest brain distribution and could further accumulate at the glioma implantation foci after entering into the brain.

关键词： Glucose RGD peptide Drug delivery Dual-targeting Liposomes

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Novel Pt(Ⅱ) complexes based on oxoisoaporphine:synthesis,cytotoxicity,apoptosis and cell cycle arrest

Novel Pt(Ⅱ) complexes based on oxoisoaporphine:synthesis,cy...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Yujun Zhong Zuzhuang Wei Qipin Qin Yancheng Liu Hongliang Zhenfeng Chen State Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources School of Chemistry and PharmacyGuangxi Normal University

A ligand which named of 6-hydrazine base-oxoisoaporphine(H-L) and[Pt(L)(DMSO)Cl](1) 、[Pt(L)(en)CI](2) and[Pt(L)(pn)Cl](3) have been synthesized and full characterized by elemental analysis,NMR,ESI-MS as well as single crystal X-ray diffraction analysis,three new platinum(II) complexes have been studied on antitumor activity in vitro and the result shown platinum(II) complexes were more selective for Hep-G2 tumor cells versus normal HL-7702 *** results also shown that the platinum(II) complex 3 can caused G1 phase arrest and induced apoptosis by interaction mitochondrial dysfunction *** brief,all the results suggested that the second ligand played a key role in vitro antitumor activity.

关键词： 6-hydrazine base-oxoisoaporphine platinum(Ⅱ) complexes apoptosis cells cycle antitumor activity

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Structure-based design,synthesis of 5-benzyl-2-phenylpyrimidin-4(3H)-one derivatives as novel MEK1 inhibitor

Structure-based design,synthesis of 5-benzyl-2-phenylpyrimid...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Hongyue Li Can Li Jing Sun DANDan Xi Chao Wang Lei Liang Fengrong Xu Yan Niu Ping Xu Department of Medicinal Chemistry School of Pharmaceutical SciencesPeking University Health Science Center

Ras/Raf/MEK/ERK signaling pathway is upregulated in many human cancer *** of this pathway by MEK inhibition is a promising strategy in cancer therapy .We discovered a class of 5-benzyl-2-phenylpyrimidin-4（3 H）-one as a novel skeleton of allosteric MEK *** acquired target compounds exhibited modest potency to inhibit MEK 1 in Raf-MEK cascading assay,and docking studies showed that the binding mode of the most potent compound SJ3（10 μM inhibition is 57.31%） was very similar to that of the well-known diarylamine-based inhibitor（PD0325901）.The results provided valuable guidance for further optimizations on this novel scaffold to achieve drugable molecules.

关键词： 5-benzyl-2-phenylpyrimidin-4(3H)-one MEK1 inhibitor Docking

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Discovery of amide imidazole derivatives as potent antifungal agents:design,synthesis,and structure-activity relationship studies

Discovery of amide imidazole derivatives as potent antifunga...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Liyu Zhao Shizhen Zhao Nannan Sun Linfeng Tian Xiangqian Zhang Dongmei Zhao Maosheng Cheng Key Laboratory of Structure-Based Drug Design and Discovery Ministry of EducationSchool of Pharmaceutical EngineeringShenyang Pharmaceutical University

A number of biphenyl imidazole derivatives in our library were screened and evaluated for antifungal activity to combat the increasing incidence of invasive fungal *** 1 was identified as a modest fungal inhibitor with MIC value of 2μg/mL against Candida *** interactions between the compound 1 and CYP51 was investigated using the CDOKER *** 2,the methyl ester side chain of compound 1 replace by isobutyl ester（a bulky group）,show better antifungal ***,compound 2 exhibited strong inhibition of cytochrome *** 3 showed weak inhibitory activity against CYP1 A2,CYP2 C9,CYP2 C19,and CYP2 D6 with IC values of>50μM,and exhibited excellent activity against Candida albicans（MIC =0.125μg/mL）,suggesting the potential for further evaluations.

关键词： Antifungal activity CYP51 Azole antifungals Imidazole

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Structure-activity relationship(SAR) and conformational studies of the natural selective G protein inhibitors

Structure-activity relationship(SAR) and conformational stud...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Hang Zhang School of Pharmaceutical Sciences Zhengzhou University

Extracellular signals perceived by GPCRs are transmitted via G proteins and subsequent intracellular signaling cascades result in a plethora of physiological *** natural product cyclic depsipeptides YM-254890（YM） and FR900359（FR） are the only known specific inhibitors of the G subfamily of G proteins,which are not generally *** we reported the first total synthesis of YM and FR[1],the versatility of the synthetic approach enabled the design and synthesis of 27 analogs[1-3],which provided the first SAR study,the first conformational study for this class of compounds and the first attempt on the generation of selective G *** characterization of all the compounds at G,G and G-mediated signaling provided succinct information on the structural requirements for G inhibition,and demonstrated that both YM and FR are highly potent inhibitors of G signaling,with FR being the most potent so ***,it indicated that except for the fit of binding pocket,more factors should be taken into consideration for the challenging development of G *** natural products and their analogs represent drug templates and unique tools for the treatment of G-related disease.

关键词： G proteins structure-activity relationship studies cyclic depsipeptides

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Discovery of a propionamide prodrug of K-5a2 with improved aqueous solubility and oral bioavailability in rat

Discovery of a propionamide prodrug of K-5a2 with improved a...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Zhipeng Huo Dongwei Kang Peng Zhan Xinyong Liu Department of Medicinal Chemistry Key Laboratory of Chemical BiologyMinistry of EducationSchool of Pharmaceutical SciencesShandong University

K-5 a2 was developed as a promising anti-HIV-1 drug candidate discovered in our group *** has a comparable inhibitory activity against wild-type（WT） and mutant strains of HIV-1 than that of Etravirine（ETR）.However,the use of K-5 a2 for anti-HIV-1 therapy is challenging due to its poor solubility and ***,we developed a prodrug approach with a propyl promoiety in attempt to improve these *** propionamide prodrug HM-1 showed a >70-fold improvement in aqueous solubility compared with K-5 *** evaluated in rat,HM-1 displayed a half-life period of 3.53 h with a calculated oral bioavailability of 80.71%,as compared to 3.21 h and 22.89%for K-5 *** summary,we have identified a prodrug of K-5 a2 with better physicochemical properties and enhanced bioavailability in rat.

关键词： HIV-1 prodrug aqueous solubility oral bioavailability

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Discovery of (R)-1-(3-(4-amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one(CHMFL-EGFR-202) as a novel irreversible EGFR mutants kinase inhibitor with a distinct binding mode

Discovery of (R)-1-(3-(4-amino-3-(3-chloro-4-(pyridin-2-ylme...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Xixiang Li Hefei institutes of Physical Science Chinese Academy of Sciences

Based on Ibnitinib's core pharmacophore,which was moderately active to EGFR T790M mutant,we discovered a novel EGFR inhibitor compound 19(CHMFL-EGFR-202),which potently inhibited EGFR primary mutants(L858R,del 19) and drug resistant mutant L858R/*** 19 displayed a good selectivity profile among 468 kinases/mutants tested in the

关键词： Discovery of CHMFL-EGFR-202 amino-3 as a novel irreversible EGFR mutants kinase inhibitor with a distinct binding mode chloro-4 pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one pyridin-2-ylmethoxy)phenyl

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OBHSA compounds with long alkyl chain as a novel SERDs display improved downregulating activity of the estrogen receptor

OBHSA compounds with long alkyl chain as a novel SERDs displ...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Zhiye Hu Wentao Ning Yuanyuan Li Baohua Xie Yuan Huang Haibing Zhou School of Pharmaceutical Sciences Wuhan University

Endocrine therapy has contributed significantly to the successful treatment of ERα-positive breast cancer,but resistance remains an ***,most of the hormonal resistance mechanisms are dependent on the activity of ERα,so the use of selective estrogen receptor downregulators（SERDs） to shut down ERa signaling may overcome ***,for the clinical SERD fulvestrant,intramuscular administration and undesirable pharmacokinetics limit its *** recent years,our group has obtained a novel SERD,OBH-sulfonamide（OBHSA,Scheme 1） with unusual three-dimensional core scaffold and specific biological *** the crystal structures of these compounds,we observed the introduction of side chains can better fill the cavity of ligand binding pocket of ER,therefore,we designed and synthesized a series of OBHSA compounds with different long alkyl *** was delightful to find that most of these compounds can significantly downregulate ERα and exhibit good anti-proliferative activity in MCF-7 ***,we successfully separated the regioisomers of these compounds and evaluated biological activity of each isomers for further lead optimization.

关键词： breast cancer SERDs estrogen receptor alkyl chain

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Design,synthesis and anti-virus activity of a novel butenolide as inhibitors of neuraminidase from influenza A virus H1N1 in vitro and in Vivo

Design,synthesis and anti-virus activity of a novel butenoli...

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Zhenya Wang Xiaoning Hu Xiaodong Mou Congcong Wang Yuanyuan Li Xinli Chen Yayun Tan Chunli Wu Hongmin Liu Haiwei Xu Collaborative Innovation Center of New Drug Research and Safety Evaluation Henan Province Key Laboratory of Advanced Drug Preparation Technologies Ministry of EducationZhengzhou University Key Laboratory of “Runliang”Antiviral Medicines Research and Development Institute of Drug Discovery & DevelopmentZhengzhou University

Influenza viruses cause substantial morbidity and mortality through routine seasonal spread and *** present,the first-line drugs recommended for anti-flu treatment are influenza neuraminidase（NA） *** this work,compound 9 c,a γ-butyrolactone was synthesized and showed the most significant anti-influenza activity with an EC50 of 6.68μM in *** antiviral activity of 9 c was also verified in vivo and the necrosis of lungs in the groups with 9 c treatment was reduced by gross pathology and histopathology（HE staining）.Silico docking indicated that 9 c was able to occupy the binding pocket of NA and inhibited NA in dose-dependent with a similar rate to Oseltamivir.

关键词： Butenolids Antivirus Influenza H1N1 Neuraminidase

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Novel NanoLuc-type substrates with various C-8 substitution

Novel NanoLuc-type substrates with various C-8 substitution

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第11届世界华人药物化学研讨会（iscmc 2018）

作者： Chongzheng Yan Lupei Du Mingyong Li Department of Medicinal Chemistry Key Laboratory of Chemical Biology(MOE)School of Pharmaceutical SciencesShandong University

Bioluminescence(BL) is a natural phenomenon that emits cold light resulting from thereaction catalyzed by the corresponding luciferase in biologicalsystenis.[1]NanoLuc(Nluc)/Furimazine pair bioiuminescent system had been emplyed for several applications by right of its evident ***,the weak point is also significant,such as nonideal emission for in vivo applications and its unique substrate.[2]In this work,we designed and synthesized a series of bioiuminescent substrates with varying at the C-8 position of the imidazopyrazinone *** of these provide excellent bioluminescence *** vitro,some of them exhibite 3-fold stronger BL intensity than Furimazine in the presence of Nluc that is incredible and all of them have red-shifted emission compared to *** cellular level,one of these compouds is superior to *** vivo,some of them are greatly brighter c Furimaizne what we are most proud of is that one of these compouds exhibits more than 50-fold stronger emission than Furimazine at 5 *** *** compouds display decent performance in the BL assay so as to can become candidates of luciferin.

关键词： Bioluminescence NanoLuc Furimazine

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