MedChemComm

Identification of Potent Catalytic Inhibitors of Human DNA Topoisomerase II by Structure-based Virtual Screening ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00219C, Research Article Guoqiang Dong, Ying Wu, Ying Sun, Na Liu, Shanchao Wu, WN Zhang, Chunquan Sheng Human DNA topisomerase II (Top2) is a promising target for cancer treatment. To overcome the limitations of known Top2 inhibitors, novel Top2 catalytic inhibitors with new scaffolds were identified by... The content of this RSS Feed (c) The Royal Society of Chemistry
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Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: Synthesis, in vitro biological evaluation and molecular docking ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00057C, Research Article Wuji Sun, Shubiao Fang, Hong Yan Vascular endothelial growth factor receptor-2 (VEGFR-2) plays a crucial role in tumor angiogenesis, and inhibition of the VEGFR-2 signaling pathway has emerged as an attractive target for cancer therapy. In... The content of this RSS Feed (c) The Royal Society of Chemistry
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Synthesis and preliminary anti-inflammatory and anti-bacterial evaluation of some diflunisal aza-analogs ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00139A, Research Article Davide Carta, Paola Brun, Matteo Dal Pra, Giulia Bernabe, Ignazio Castagliuolo, Maria Grazia Ferlin The new diflunisal aza-analogs multi-target approach is remarkable in the treatment of infections induced by multi-drug resistant bacteria. Diflunisal aza-analogs preserved the anti-inflammatory activity and significantly potentiated the antimicrobial activity of antibiotics. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Pharmacophore-based tailoring of biphenyl amide derivatives as selective 5-hydroxytryptamine 2B receptor antagonists ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00204E, Research Article Moustafa Tarek Gabr, Mohammed Abdel-Raziq We designed and synthesized a new biphenyl amide-tryptamine hybrid molecule 7 utilizing a pharmacophore-based approach as 5-HT2B antagonist. The hybrid compound 7 was evaluted for its affinity to a panel... The content of this RSS Feed (c) The Royal Society of Chemistry
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Assessment of the trifluoromethyl ketone functionality as an alternative zinc-binding group for selective HDAC6 inhibition ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00107C, Research Article Yves Depetter, Silke Geurs, Flore Vanden Bussche, Rob De Vreese, Jorick Franceus, Tom Desmet, Olivier De Wever, Matthias D'hooghe The replacement of the hydroxamic acid zinc-binding group in benzohydroxamic acid HDAC6 inhibitors by a trifluoromethyl ketone function leads to severe reduction in enzymatic and cellular activity. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Effect of N-1 arylation of monastrol on kinesin Eg5 inhibition in glioma cell lines ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00095F, Research Article Itamar Luis Goncalves, Liliana Rockenbach, Gustavo Machado das Neves, Gabriela Goethel, Fabiana Nascimento, Luciano Porto Kagami, Fabricio Figueiro, Gabriel Oliveira de Azambuja, Amanda de Fraga Dias, Andressa Amaro, Lauro Mera de Souza, Ivan da Rocha Pitta, Daiana Silva Avila, Daniel Fabio Kawano, Solange Cristina Garcia, Ana Maria Oliveira Battastini, Vera Lucia Eifler-Lima An original and focused library of dihydropyrimidin-2-thiones N-1 aryl substituted derived from monastrol was designed and synthesized in order to discover a more effective Eg5 ligand. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Efficient copper-catalyzed amination of DNA-conjugated aryl iodides under mild aqueous conditions ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00185E, Research Article Yves Ruff, Frederic Berst Herein, we describe the development of a copper-catalyzed amination of DNA-conjugated aryl iodides with aliphatic amines. This protocol leverages a novel ligand, 2-((2,6-dimethoxyphenyl)amino)-2-oxoacetic acid, to effect the transformation in aqueous... The content of this RSS Feed (c) The Royal Society of Chemistry
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Mercaptoacetate thioesters and their hydrolysate mercaptoacetic acid jointly inhibit Metallo-[small beta]-Lactamase L1 ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00091C, Research Article Cheng Chen, Yang Xiang, Ya Liu, Xiangdong Hu, Ke-Wu Yang The 'superbug' infection caused by metallo-[small beta]-lactamases (M[small beta]Ls) including L1 has grown into an emerging threat. To probe a truth that mercaptoacetate thioester inhibiting L1 is contribution of the thioesteritself or... The content of this RSS Feed (c) The Royal Society of Chemistry
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An overview of recent molecular dynamics applications as medicinal chemistry tools for the undruggable site challenge ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00166A, Review Article Ugo Perricone, Maria Rita Gulotta, Jessica Lombino, Barbara Parrino, Stella Cascioferro, Patrizia Diana, Girolamo Cirrincione, Alessandro Padova Molecular dynamics has been demonstrated to be crucial for unveiling otherwise hidden binding sites especially for the undruggable target challenge. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Antitumor effects of melanin from Lachnum YM226 and its derivative in H22 tumor-bearing mice ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00035B, Research Article Fang Shi, Jinglei Li, Ziyang Ye, Liuqing Yang, Tingting Chen, Xue Chen, Ming Ye In the present study, we investigated the anti-tumor activities of the intracellular homogeneous melanin (LM) of Lachnum YM226 and its derivative (ALM) on liver cancer using murine H22 hepatocarcinoma model.... The content of this RSS Feed (c) The Royal Society of Chemistry
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Novel 99mTc labelled complexes with 2-nitroimidazole isocyanide: design, synthesis and evaluation as potential tumor hypoxia imaging agents ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00146D, Research Article Qing Ruan, Xuran Zhang, Xiao Lin, Xiaojiang Duan, Junbo Zhang 99m Tc-2c can be prepared by a direct labelling method without the need for heating and would be a promising probe for hypoxia imaging. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Tricyclic xanthine derivatives containing a basic substituent: adenosine receptor affinity and drug-related properties ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00070K, Research Article Michal Zaluski, Katarzyna Stanuch, Tadeus Karcz, Sonja Hinz, Gniewomir Latacz, Ewa Szymanska, Jakub Schabikowski, Agata Doroz-Plonka, Jadwiga Handzlik, Anna Drabczynska, Christa E Muller, Katarzyna Kononowicz A library of 27 novel amide derivatives of annelated xanthines was designed and synthesized. The new compounds represent 1,3-dipropyl- and 1,3-dibutyl-pyrimido[2,1-f]purinedione-9-ethylphenoxy derivatives including a CH2CONH linker between (CH2)2-amino group and... The content of this RSS Feed (c) The Royal Society of Chemistry
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Synthesis and cellular penetration properties of new phosphonium based cationic amphiphilic peptides ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00113H, Research Article Open Access Open Access Creative Commons Licence  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. Ezequiel Silva Nigenda, Tobias M. Postma, Mohammed Hezwani, Alin Pirvan, Susan Gannon, Carol-Anne Smith, Mathis Riehle, Rob M. J. Liskamp A new category of phosphonium based cationic amphiphilic peptides has been developed and evaluated as potential antimicrobial peptides and cell penetrating peptides. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Correction: design, synthesis and evaluation of cinnamic acid ester derivatives as mushroom tyrosinase inhibitors ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD90024H, Correction Open Access Open Access Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Zhaojun Sheng, Siyuan Ge, Ximing Xu, Yan Zhang, Panpan Wu, Kun Zhang, Xuetao Xu, Chen Li, Denggao Zhao, Xiaowen Tang To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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The role of aryl-topology for balancing between selective and dual 5-HT7R/5-HT1A action of 3,5-substituted hydantoins ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00168E, Research Article Katarzyna Kucwaj-Brysz, Rafal Kurczab, Ewa Zeslawska, Annamaria Lubelska, Malgorzata Anna Marc, Gniewomir Latacz, Grzegorz Satala, Wojciech Nitek, Katarzyna Kononowicz, Jadwiga Handzlik In order to search for active and selective serotonin 5-HT7¬R antagonists among 3,5-disubstituted arylpiperazine-imidazolidine-2,4-diones, the role of introduction/deletion and mutual orientation of aromatic rings was analyzed. Chemical modifications of 2nd... The content of this RSS Feed (c) The Royal Society of Chemistry
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Evaluation of A-ring fused pyridine D-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00077H, Research Article Marina P. Savic, Jovana J. Ajdukovic, Jovana J. Plavsa, Sofija S. Bekic, Andjelka S. Celic, Olivera R. Klisuric, Dimitar S. Jakimov, Edward T. Petri, Evgenija A. Djurendic New A-ring pyridine fused androstanes in D-homo lactone, 17[small alpha]-picolyl or 17(E)-picolinylidene series were synthesized and validated. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Design and Synthesis of Novel 1,3,5-Triphenyl Pyrazolines as Potential Anti-Inflammatory Agents Through Allosteric Inhibition of Protein Kinase Czeta (PKC[small zeta]) ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00100F, Research Article Mohammad Abdel-Halim, Ashraf H. Abadi, Matthias Engel Much light has been shed on the vital role of Czeta (PKC[small zeta]) in NF-[small kappa]B activation and the potential use of PKC[small zeta] inhibitors as anti-inflammatory agents. We previously reported the class... The content of this RSS Feed (c) The Royal Society of Chemistry
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Design, Synthesis, and Bioactivity Investigation of Tetrandrine Derivatives as Potential Anti-cancer Agents ()
Med. Chem. Commun., 2018, Accepted Manuscript DOI: 10.1039/C8MD00125A, Research Article junrong song, junjie lan, chao chen, shengchao hu, jialei Song, Wulin Liu, xueyi zeng, huayong lou, Yaacov Ben-David, Weidong Pan [round bullet, filled] Twenty four 14-sulfonamide-tetrandrine derivatives as potentially anti-cancer agents were designed and synthesized. The synthetic derivatives were investigated for their anti-cancer activity against human cancer cell lines MDA-MB-231, PC3, WM9,... The content of this RSS Feed (c) The Royal Society of Chemistry
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N-Acetyl-3-aminopyrazoles block the non-canonical NF-kB cascade by selectively inhibiting NIK ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00068A, Research Article Agnese C. Pippione, Stefano Sainas, Antonella Federico, Elisa Lupino, Marco Piccinini, Michael Kubbutat, Jean-Marie Contreras, Christophe Morice, Alessandro Barge, Alex Ducime, Donatella Boschi, Salam Al-Karadaghi, Marco L. Lolli Resulting from hit-to-lead optimization, the aminopyrazole 3a is a NIK inhibitor selective over 44 kinases. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Isolation, expression and biochemical characterization of recombinant hyoscyamine-6[small beta]-hydroxylase from Brugmansia sanguinea - tuning the scopolamine production ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00090E, Research Article Conrad Fischer, Moonhyuk Kwon, Dae-Kun Ro, Marco J. van Belkum, John C. Vederas Using a stabilizing small ubiquitin like modifier (SUMO) fusion, a new homologue of hyoscyamine-6[small beta]-hydroxylase from Brugmansia sanguinea (BsH6H) boosts scopolamine production. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Elucidation of fluorine's impact on pKa and in vitro Pgp-mediated efflux for a series of PDE9 inhibitors ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00114F, Research Article Kasper Fjelbye, Mauro Marigo, Rasmus P. Clausen, Erling B. Jorgensen, Claus T. Christoffersen, Karsten Juhl The influence of replacing a hydrogen atom with fluorine on the pKa and Pgp-mediated efflux is elucidated for a series of PDE9 inhibitors. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Inhibition of O-GlcNAc transferase (OGT) by peptidic hybrids ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00115D, Research Article Hao Zhang, Tihomir Tomasic, Jie Shi, Matjaz Weiss, Rob Ruijtenbeek, Marko Anderluh, Roland J. Pieters O-GlcNAc transferase (OGT) attaches a GlcNAc moiety on specific substrate proteins using UDP-GlcNAc as the sugar donor. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Design, synthesis and antimicrobial activity of usnic acid derivatives ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00076J, Research Article Kartsev Victor, Lichitsky Boris, Geronikaki Athina, Petrou Anthi, Smiljkovic Marija, Kostic Marina, Radanovic Oliver, Sokovic Marina Usnic acid, a dibenzofuran, was originally isolated from lichens producing secondary metabolites, and is well known as an antibiotic, but is also endowed with several other interesting properties. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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New tetrahydroisoquinoline-based P-glycoprotein modulators: decoration of the biphenyl core gives selective ligands ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00075A, Research Article Marialessandra Contino, Stefano Guglielmo, Maria Grazia Perrone, Roberta Giampietro, Barbara Rolando, Antonio Carrieri, Daniele Zaccaria, Konstantin Chegaev, Vanessa Borio, Chiara Riganti, Katarzyna Zabielska-Koczywas, Nicola A. Colabufo, Roberta Fruttero Among the new selective P-gp modulators reported, compound 12a almost completely restores doxorubicin cytotoxicity in resistant cancer cells. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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Design, synthesis and evaluation of cinnamic acid ester derivatives as mushroom tyrosinase inhibitors ()
Med. Chem. Commun., 2018, Advance Article DOI: 10.1039/C8MD00099A, Research Article Zhaojun Sheng, Siyuan Ge, Ximing Xu, Yan Zhang, Panpan Wu, Kun Zhang, Xuetao Xu, Chen Li, Denggao Zhao, Xiaowen Tang Tyrosinase is a key enzyme in melanin biosynthesis, and is also involved in the enzymatic browning of plant-derived foods. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry
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