Identification of green tea catechins as potent inhibitors of the polo-box domain of polo-like kinase 1.

abstract：:Phospholipid bilayers represent a complex, anisotropic environment fundamentally different from bulk oil or octanol, for instance. Even "simple" drug association to phospholipid bilayers can only be fully understood if the slab-of-hydrocarbon approach is abandoned and the complex, anisotropic properties of lipid bilay...

journal_title：ChemMedChem

authors： Alakoskela JM,Vitovic P,Kinnunen PK

更新日期：2009-08-01 00:00:00

abstract：:Despite bioavailability issues, tea catechins have emerged as promising chemopreventive agents because of their efficacy in various animal models. We synthesized two catechin-derived compounds, 3-O-(3,4,5-trimethoxybenzoyl)-(-)-catechin (TMCG) and 3-O-(3,4,5-trimethoxybenzoyl)-(-)-epicatechin (TMECG), in an attempt to...

journal_title：ChemMedChem

authors： Sáez-Ayala M,Sánchez-del-Campo L,Montenegro MF,Chazarra S,Tárraga A,Cabezas-Herrera J,Rodríguez-López JN

更新日期：2011-03-07 00:00:00

abstract：:A new class of imidazo[2,1-b]thiazole chalcone derivatives were synthesized and evaluated for their anticancer activity. These chalcone derivatives show promising activity, with log GI(50) values ranging from -7.51 to -4.00. The detailed biological aspects of these derivatives toward the MCF-7 cell line were studied. ...

journal_title：ChemMedChem

authors： Kamal A,Dastagiri D,Ramaiah MJ,Reddy JS,Bharathi EV,Srinivas C,Pushpavalli SN,Pal D,Pal-Bhadra M

更新日期：2010-11-08 00:00:00

abstract：:Together with estrogen receptors ERα and ERβ, the G protein-coupled estrogen receptor (GPER) mediates important pathophysiological signaling pathways induced by estrogens and is currently regarded as a promising target for ER-negative (ER-) and triple-negative (TN) breast cancer. Only a few selective GPER modulators h...

journal_title：ChemMedChem

authors： Aiello F,Carullo G,Giordano F,Spina E,Nigro A,Garofalo A,Tassini S,Costantino G,Vincetti P,Bruno A,Radi M

更新日期：2017-08-22 00:00:00

abstract：:The design of multitarget-directed ligands is a promising strategy for discovering innovative drugs. Here, we report a mechanistic study that clarifies key aspects of the dual inhibition of the fatty acid amide hydrolase (FAAH) and the cyclooxygenase (COX) enzymes by a new multitarget-directed ligand named ARN2508 (2-...

journal_title：ChemMedChem

authors： Palermo G,Favia AD,Convertino M,De Vivo M

更新日期：2016-06-20 00:00:00

abstract：:Nucleoside analogues are extensively used as antiviral and anticancer agents. Their efficiency is dependent on their metabolism into the ultimately active nucleoside triphosphates. Often one step or even more in the metabolism of the nucleoside to the triphosphate is inefficient. To overcome this hurdle, prodrugs of t...

journal_title：ChemMedChem

authors： Weinschenk L,Gollnest T,Schols D,Balzarini J,Meier C

更新日期：2015-05-01 00:00:00

abstract：:First reported in the late 1930s and partly explained in 1970, the antibacterial activity of pectin remained almost ignored until the late 1990s. The concomitant emergence of research on natural antibacterials and new usages of pectin polysaccharides, including those in medicine widely researched in Russia, has led to...

journal_title：ChemMedChem

authors： Ciriminna R,Fidalgo A,Meneguzzo F,Presentato A,Scurria A,Nuzzo D,Alduina R,Ilharco LM,Pagliaro M

更新日期：2020-08-28 00:00:00

abstract：:3-Deazaneplanocin A (DzNep) is a potential epigenetic drug for the treatment of various cancers. DzNep has been reported to deplete histone methylations, including oncogenic EZH2 complex, giving rise to epigenetic modifications that reactivate many silenced tumor suppressors in cancer cells. Despite its promise as an ...

journal_title：ChemMedChem

authors： Tam EK,Nguyen TM,Lim CZ,Lee PL,Li Z,Jiang X,Santhanakrishnan S,Tan TW,Goh YL,Wong SY,Yang H,Ong EH,Hill J,Yu Q,Chai CL

更新日期：2015-01-01 00:00:00

abstract：:The breast cancer resistance protein (BCRP/ABCG2) is a member of the ABC transporter superfamily. This protein has a number of physiological functions, including protection of the human body from xenobiotics. The overexpression of BCRP in certain tumor cell lines causes cross-resistance against various drugs used in c...

journal_title：ChemMedChem

authors： Marighetti F,Steggemann K,Hanl M,Wiese M

更新日期：2013-01-01 00:00:00

abstract：:With the widespread occurrence of bacterial resistance to antibiotics, the development of new strategies beyond conventional treatments is a pursuit taken by public health institutions worldwide. LasR, a transcription factor that controls quorum sensing in Pseudomonas aeruginosa, has emerged as an attractive therapeut...

journal_title：ChemMedChem

authors： Skovstrup S,Le Quement ST,Hansen T,Jakobsen TH,Harmsen M,Tolker-Nielsen T,Nielsen TE,Givskov M,Taboureau O

更新日期：2013-01-01 00:00:00

abstract：:Drug metabolism, toxicity, and their interaction profiles are major issues in the drug-discovery and lead-optimization processes. The cytochromes P450 (CYPs) 2D6 and 2C9 are enzymes involved in the oxidative metabolism of a majority of marketed drugs. Therefore, the prediction of the binding affinity towards CYP2D6 an...

journal_title：ChemMedChem

authors： Rossato G,Ernst B,Smiesko M,Spreafico M,Vedani A

更新日期：2010-12-03 00:00:00

abstract：:A historical overview of key events that led, 50 years ago, to the foundation of the European Federation for Medicinal Chemistry (EFMC), and the impact this had on promoting and structuring medicinal chemistry as a discipline in Europe. EFMC, together with the growing number of newly established national medicinal che...

journal_title：ChemMedChem

authors： Differding E

更新日期：2020-12-15 00:00:00

abstract：:Iron is essential for the pathogenicity and virulence of Mycobacterium tuberculosis, which synthesises salicyl-capped siderophores (mycobactins) to acquire this element from the host. MbtA is the adenylating enzyme that catalyses the initial reaction of mycobactin biosynthesis and is solely expressed by mycobacteria. ...

journal_title：ChemMedChem

authors： Ferguson L,Wells G,Bhakta S,Johnson J,Guzman J,Parish T,Prentice RA,Brucoli F

更新日期：2019-10-04 00:00:00

abstract：:Drugs may have polypharmacological phenomena, that is, in addition to the desired target, they may also bind to many undesired or unknown physiological targets. As a result, they often exert side effects. In some cases, off-target interactions may lead to drug repositioning or to explaining a drug's mode of action. He...

journal_title：ChemMedChem

authors： Patel H,Lucas X,Bendik I,Günther S,Merfort I

更新日期：2015-07-01 00:00:00

abstract：:Despite improvements in the treatment and prevention of cancer, the number of new diagnoses continues to rise; this has fuelled substantial interest in the development of new and effective chemotherapeutic agents. Compounds of the triazene class, such as dacarbazine, have been used in the clinical management of many c...

journal_title：ChemMedChem

authors： Diana P,Stagno A,Barraja P,Carbone A,Parrino B,Dall'Acqua F,Vedaldi D,Salvador A,Brun P,Castagliuolo I,Issinger OG,Cirrincione G

更新日期：2011-07-04 00:00:00

abstract：:An alternative method to prepare 2-organylchalcogenopheno[2,3-b]pyridines was developed by the insertion of chalcogen species (selenium, sulfur or tellurium), generated in situ, into 2-chloro-3-(organylethynyl)pyridines by using the NaBH4 /PEG-400 reducing system, followed by an intramolecular cyclization. It was poss...

journal_title：ChemMedChem

authors： Peglow TJ,Bartz RH,Martins CC,Belladona AL,Luchese C,Wilhelm EA,Schumacher RF,Perin G

更新日期：2020-09-16 00:00:00

abstract：:Pharmaceutical companies are facing an increasing interest in new target identification and validation. In particular, extensive efforts are being made in the field of protein kinase inhibitors research and development, and the past ten years of effort in this field have altered our perception of the potential of kina...

journal_title：ChemMedChem

authors： Margutti S,Laufer SA

更新日期：2007-08-01 00:00:00

abstract：:Over the past few years, the number of people diagnosed with type 2 diabetes has increased owing to an unhealthy diet, a limited amount of exercise, and obesity. The search for novel and efficient antidiabetes agents has become an urgent task for scientists. Among the antidiabetes drugs, α-glucosidase inhibitor drugs ...

journal_title：ChemMedChem

authors： Liu Z,Ma S

更新日期：2017-06-07 00:00:00

abstract：:Selectivity is a central aspect of lead optimization in the drug discovery process. Medicinal chemists often try to decrease molecular flexibility to improve selectivity, given the common belief that the two are interdependent. To investigate the relationship between polypharmacology and conformational flexibility, we...

journal_title：ChemMedChem

authors： He MW,Lee PS,Sweeney ZK

更新日期：2015-02-01 00:00:00

abstract：:Because only a few studies have investigated the affinity and functional activity of NMDA receptor open channel blockers under the same assay conditions, a comparative study of common open channel blockers is of major interest. The pharmacological activities of MK-801, phencyclidine (PCP), dexoxadrol, etoxadrol, (S)- ...

journal_title：ChemMedChem

authors： Temme L,Schepmann D,Schreiber JA,Frehland B,Wünsch B

更新日期：2018-03-06 00:00:00

abstract：:Myotonic dystrophy is the most common form of adult-onset muscular dystrophy, originating in a CTG repeat expansion in the DMPK gene. The expanded CUG transcript sequesters MBNL1, a key regulator of alternative splicing, leading to the misregulation of numerous pre-mRNAs. We report an RNA-targeted agent as a possible ...

journal_title：ChemMedChem

authors： Luu LM,Nguyen L,Peng S,Lee J,Lee HY,Wong CH,Hergenrother PJ,Chan HY,Zimmerman SC

更新日期：2016-07-05 00:00:00

abstract：:The emergence and dissemination of multidrug resistant (MDR) pathogens resistant to nearly all available antibiotics poses a significant threat in clinical therapy. Among them, Klebsiella pneumoniae clinical isolates overexpressing KPC-2 carbapenemase are the most worrisome, extending bacterial resistance to last-reso...

journal_title：ChemMedChem

authors： Celenza G,Vicario M,Bellio P,Linciano P,Perilli M,Oliver A,Blazquez J,Cendron L,Tondi D

更新日期：2018-04-06 00:00:00

abstract：:The development and progression of chronic complications in diabetic patients, such as retinopathy, nephropathy, neuropathy, cataracts, and stroke, are related to the activation and/or overexpression of aldose reductase (ALR2), which is a member of the aldo-keto reductase superfamily. A structure-activity relationship...

journal_title：ChemMedChem

authors： Zhang S,Chen X,Parveen S,Hussain S,Yang Y,Jing C,Zhu C

更新日期：2013-04-01 00:00:00

abstract：:Human equilibrative nucleoside transporter 1 (hENT1) is a prototypical nucleoside transporter protein ubiquitously expressed on the cell surface of almost all human tissue. Given the role of hENT1 in the transport of nucleoside drugs, an important class of therapeutics in the treatment of various cancers and viral inf...

journal_title：ChemMedChem

authors： Rayala R,Theard P,Ortiz H,Yao S,Young JD,Balzarini J,Robins MJ,Wnuk SF

更新日期：2014-09-01 00:00:00

abstract：:Many methods have been developed to capture the biological similarity between two compounds for use in drug discovery. A variety of similarity metrics have been introduced, the Tanimoto coefficient being the most prominent. Many of the approaches assume that molecular features or descriptors that do not relate to the ...

journal_title：ChemMedChem

authors： Abdo A,Salim N

更新日期：2009-02-01 00:00:00

abstract：:Singling out the truth: A combined application of STD-NMR, molecular docking, and CORCEMA-ST calculations is described as an attractive, easily applicable tool for the identification and validation of the binding site for allosteric ligands, with potential application as an aid in drug discovery research. ...

journal_title：ChemMedChem

authors： Zhang W,Li R,Shin R,Wang Y,Padmalayam I,Zhai L,Krishna NR

更新日期：2013-10-01 00:00:00

abstract：:Different Mannich base derivatives have been studied with the aim of addressing the poor aqueous solubility of the recently disclosed 6-phenethyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1(6H)-one (1), a human butyrylcholinesterase inhibitor (hBChE, IC50 13 nM) and protective agent in NMDA-induced neurotoxicity, in in vi...

journal_title：ChemMedChem

authors： Purgatorio R,de Candia M,Catto M,Rullo M,Pisani L,Denora N,Carrieri A,Nevskaya AA,Voskressensky LG,Altomare CD

更新日期：2020-11-06 00:00:00

abstract：:Cholesterol esterase (CEase), a serine hydrolase thought to be involved in atherogenesis and thus coronary heart disease, is considered as a target for inhibitor development. We investigated recombinant human and murine CEases with a new fluorometric assay in a structure-activity relationship study of a small library ...

journal_title：ChemMedChem

authors： Dato FM,Sheikh M,Uhl RZ,Schüller AW,Steinkrüger M,Koch P,Neudörfl JM,Gütschow M,Goldfuss B,Pietsch M

更新日期：2018-09-06 00:00:00

abstract：:Metalloproteinases of the astacin family are drawing ever increasing attention as potential drug targets. However, knowledge regarding inhibitors thereof is limited in most cases. Crucial for the development of metalloprotease inhibitors is high selectivity, to avoid side effects brought about by inhibition of off-tar...

journal_title：ChemMedChem

authors： Tan K,Jäger C,Schlenzig D,Schilling S,Buchholz M,Ramsbeck D

更新日期：2018-08-20 00:00:00

abstract：:Dual inhibition of microsomal prostaglandin E2 synthase-1 (mPGES-1) and 5-lipoxygenase (5-LO), two key enzymes involved in pro-inflammatory eicosanoid biosynthesis, represents a new strategy for treating inflammatory disorders. Herein we report the discovery of 2,4-thiazolidinedione-based mPGES-1/5-LO dual inhibitors ...

journal_title：ChemMedChem

authors： Lauro G,Terracciano S,Cantone V,Ruggiero D,Fischer K,Pace S,Werz O,Bruno I,Bifulco G

更新日期：2020-03-18 00:00:00