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在“Elsevier电子期刊”中，命中：403条，耗时：0.1129481 秒

在所有数据库中总计命中：4,392条

1.Linker-switch approach towards new ATP binding site inhibitors of DNA gyrase B

作者：Marko Jukič^a ; Janez Ila&scaron ; ^a ; Matjaž Brvar^b ; Danijel Kikelj^a ; Jožko Cesar^a ; Marko Anderluh^a ; ^{marko.anderluh@ffa.uni-lj.si}

关键词：Antibiotics ; Antibacterials ; Inhibitor ; DNA gyrase B ; ATP binding site ; Pyrrole-2-carboxamides ; Structure-based drug design ; Ligand-based drug design

刊名：European Journal of Medicinal Chemistry

出版年：2017

2.Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines

作者：Michaela Hylsová ; ^a ; ¹ ; Benoit Carbain^a ; ^f ; ¹ ; Jindřich Fanfrlí ; k^b ; ¹ ; Lenka Musilová ; ^a ; Susanta Haldar^b ; ^c ; Cemal Kö ; prü ; lü ; oğlu^b ; ^c ; Haresh Ajani^b ; ^c ; Pathik S. Brahmkshatriya^b ; Radek Jorda^d ; Vladimí ; r Kry&scaron ; tof^d ; Pavel Hobza^b ; ^c ; Aude Echalier^e ; ² ; Kamil Paruch^a ; ^f ; ^{paruch@chemi.muni.cz} ; Martin Lep&scaron ; í ; k^b ; ^{lepsik@uochb.cas.cz}

关键词：Cyclin-dependent kinase 2 ; ATP-competitive type I inhibitors ; Pyrazolo[1 ; 5-a]pyrimidine ; Quantum mechanical scoring ; Protein-ligand binding ; Molecular dynamics ; Water thermodynamics ; X-ray crystal structure

刊名：European Journal of Medicinal Chemistry

出版年：2017

3.Design and synthesis of emodin derivatives as novel inhibitors of ATP-citrate lyase

作者：Steffi K. Koerner^a ; Jun-ichi Hanai^b ; ^c ; Sha Bai^a ; Finith E. Jernigan^a ; Miwa Oki^b ; Chieko Komaba^b ; Emi Shuto^b ; Vikas P. Sukhatme^b ; ^c ; ^d ; ^{vsukhatm@bidmc.harvard.edu} ; Lijun Sun^a ; ^{lsun1@bidmc.harvard.edu}

关键词：Emodin anthraquinones and anthracenone ; ATP citrate lyase inhibitor ; Lipogenesis ; Cancer stem cell

刊名：European Journal of Medicinal Chemistry

出版年：2017

4.Synthesis and biological evaluation of naphthoquinone-coumarin conjugates as topoisomerase II inhibitors

作者：Idaira Hueso-Falcó ; n^a ; Á ; ngel Amesty^a ; ¹ ; Laura Anaissi-Afonso^b ; ¹ ; Isabel Lorenzo-Castrillejo^b ; Fé ; lix Machí ; n^b ; ^{fmachin@funcanis.org} ; Ana Esté ; vez-Braun^a ; ^{aestebra@ull.es}

关键词：2-Hydroxynaphthoquinone ; 4-Hydroxycoumarin ; Privileged structures ; Topoisomerase II ; ATPase ; Docking

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

5.Identification of new pyrrolo[2,3-d]pyrimidines as Src tyrosine kinase inhibitors in vitro active against Glioblastoma

作者：Francesca Musumeci^a ; ¹ ; Anna Lucia Fallacara^b ; ¹ ; Chiara Brullo^a ; Giancarlo Grossi^a ; Lorenzo Botta^c ; Pierpaolo Calandro^b ; Mario Chiariello^d ; Miroslava Kissova^e ; Emmanuele Crespan^e ; Giovanni Maga^e ; Silvia Schenone^a ; ^{schensil@unige.it}

关键词：Pyrrolo-pyrimidines ; Src ; Glioblastoma ; Kinase inhibitors ; Small molecules

刊名：European Journal of Medicinal Chemistry

出版年：2017

6.Discovering novel 7-azaindole-based series as potent AXL kinase inhibitors

作者：Clé ; mence Feneyrolles ; Lé ; a Guiet ; Mathilde Singer ; Nathalie Van Hijfte ; Bé ; né ; dicte Daydé ; -Cazals ; Bé ; né ; dicte Fauvel ; Gwé ; naë ; l Chevé ; Abdelaziz Yasri ; ^{ayasri@oribase-pharma.com}

关键词：AXL ; 7-Azaindole ; Receptor tyrosine kinase ; Kinase inhibitor ; Modeling study ; Medicinal chemistry

刊名：Bioorganic & Medicinal Chemistry Letters

出版年：2017

7.Design, synthesis and biological evaluation of 7-(aryl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline derivatives as potential Hsp90 inhibitors and anticancer agents

作者：Sina Omid Malayeri^a ; ^b ; Khalil Abnous^c ; Atefeh Arab^d ; Maryam Akaberi^e ; Soghra Mehri^c ; Afshin Zarghi^f ; Razieh Ghodsi^a ; ^b ; ^{ghodsir@mums.ac.ir}

关键词：Quinolines ; Heat Shock Protein 90 ; Anti-cancer activity ; Her2 ; Molecular docking ; Hsp90 inhibitor

刊名：Bioorganic & Medicinal Chemistry

出版年：2017

8.Interactions of human P-glycoprotein transport substrates and inhibitors at the drug binding domain: Functional and molecular docking analyses

作者：Onat Kadioglu^a ; Mohamed E.M. Saeed^a ; Massimo Valoti^b ; Maria Frosini^b ; Giampietro Sgaragli^b ; ^{sgaragli@unisi.it" class="auth_mail" title="E-mail the corresponding author} ; Thomas Efferth^a ; ^{efferth@uni-mainz.de" class="auth_mail" title="E-mail the corresponding author}

关键词：CSA ; cyclosporin A ; DBD ; drug-binding domain ; DMD ; defined molecular docking ; EPI ; epirubicin ; LBE ; lowest binding energy ; MDA ; molecular docking analysis ; MDR ; multidrug resistance ; MFI ; mean fluorescence intensity ; P-gp ; P-glycoprotein ; R123 ; rhodamine 123 ; VMD ; Visual Molecular Dynamics

刊名：Biochemical Pharmacology

出版年：2016

9.Targeting sphingosine-1-phosphate signaling in lung diseases

作者：David L. Ebenezer^a ; Panfeng Fu^b ; Viswanathan Natarajan^a ; ^b ; ^c ; ^d ; ^{visnatar@uic.edu}

关键词：4-DP ; 4&prime ; -deoxypridoxine ; ABC transporter ; ATP-binding cassette transporter ; Akt ; protein kinase B ; ALF4 ; tetrafluoroaluminate ; ALI ; acute lung injury ; ARDS ; acute respiratory distress syndrome ; ASM ; acid sphingomyelinase ; BACE1 ; beta-site APP-cleaving enzyme ; BAL ; bronchoalveolar lavage ; BMDC ; bone marrow derived cells ; BPD ; broncho pulmonary dysplasia ; CDK-2 ; cyclin dependent kinase ; CF ; Cystic fibrosis ; CFTR ; Cystic fibrosis transmembrane conductance regulator ; CoA ; co enzyme A ; COPD ; ch

刊名：Pharmacology & Therapeutics

出版年：2016

10.Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure

作者：Yannick J. Esvan^a ; ^b ; ¹ ; Wael Zeinyeh^a ; ^b ; ¹ ; Thibaut Boibessot^a ; ^b ; Lionel Nauton^a ; ^b ; Vincent Thé ; ry^a ; ^b ; Stefan Knapp^c ; ^d ; Apirat Chaikuad^c ; ^d ; Nadè ; ge Loaë ; c^e ; Laurent Meijer^e ; Fabrice Anizon^a ; ^b ; Francis Giraud^a ; ^b ; ^{Francis.GIRAUD@univ-bpclermont.fr" class="auth_mail" title="E-mail the corresponding author} ; Pascale Moreau^a ; ^b ; ^{Pascale.MOREAU@univ-bpclermont.fr" class="auth_mail" title="E-mail the corresponding author}

关键词：Pyrido[3 ; 4-g]quinazoline ; Kinase inhibitors ; Ser/Thr kinases ; CMGC family ; CLK1 binding mode

刊名：European Journal of Medicinal Chemistry

出版年：2016

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