Analogues of Dehydroacetic Acid as Selective and Potent Agonists of an Ectopic Odorant Receptor through a Combination of Hydrophilic and Hydrophobic Interactions.

abstract：:A series of new dibenzoxepines were synthesized in a straightforward and efficient manner through diastereoselective biaryl Suzuki-Miyaura coupling and Brønsted-acid-mediated cyclodehydration as key steps. The vascular-disrupting potential of these molecules was evaluated with various in vitro assays: inhibition of mi...

journal_title：ChemMedChem

authors： Joncour A,Liu JM,Décor A,Thoret S,Wdzieczak-Bakala J,Bignon J,Baudoin O

更新日期：2008-11-01 00:00:00

abstract：:A synthetic concept is presented that allows the construction of peptide isostere libraries through polymer-supported C-acylation reactions. A phosphorane linker reagent is used as a carbanion equivalent; by employing MSNT as a coupling reagent, the C-acylation can be conducted without racemization. Diastereoselective...

journal_title：ChemMedChem

authors： Weik S,Luksch T,Evers A,Böttcher J,Sotriffer CA,Hasilik A,Löffler HG,Klebe G,Rademann J

更新日期：2006-04-01 00:00:00

abstract：:Targeting protein-protein interactions, such as the HIV-1 gp120-CD4 interface, has become a cutting-edge approach in the current drug discovery scenario. Many small molecules have been developed so far as inhibitors of the interaction between CD4 and HIV-1 gp120. However, due to a variety of reasons such as solubility...

journal_title：ChemMedChem

authors： Tintori C,Selvaraj M,Badia R,Clotet B,Esté JA,Botta M

更新日期：2013-03-01 00:00:00

abstract：:A small set of aggrecanase inhibitors based on the pyrrolo[3,4-c]quinolin-1-one or oxoisoindoline frameworks bearing a 4-(benzyloxy)phenyl substituent and different zinc binding groups were rationally designed and evaluated in silico by docking studies using the crystal structure of the ADAMTS-5 catalytic domain (PDB ...

journal_title：ChemMedChem

authors： Cappelli A,Nannicini C,Valenti S,Giuliani G,Anzini M,Mennuni L,Giordani A,Caselli G,Stasi LP,Makovec F,Giorgi G,Vomero S

更新日期：2010-05-03 00:00:00

abstract：:Given the number of monogenic ocular diseases and the number of non-monogenic degenerative ocular diseases for which gene therapy is considered as a treatment, the development of effective therapeutic delivery strategies for DNA is a critical research goal. In this work, nonviral nanoparticles (NPs) composed of glycol...

journal_title：ChemMedChem

authors： Mitra RN,Han Z,Merwin M,Al Taai M,Conley SM,Naash MI

更新日期：2014-01-01 00:00:00

abstract：:Bacterial infections are becoming increasingly difficult to treat due to the development and spread of antibiotic resistance. Therefore, identifying novel antibacterial targets and new antibacterial agents capable of treating infections by drug-resistant bacteria is of vital importance. The structurally simple yet pot...

journal_title：ChemMedChem

authors： Bionda N,Stawikowski M,Stawikowska R,Cudic M,López-Vallejo F,Treitl D,Medina-Franco J,Cudic P

更新日期：2012-05-01 00:00:00

abstract：:Racemic 2-{[1-(chloromethyl)-5-nitro-3-{5-[2-(dimethylamino)ethoxy]indol-2-carbonyl}-1,2-dihydro-3H-benzo[e]indol-7-yl]sulfonyl}aminoethyl dihydrogen phosphate, a synthetic nitro derivative of the duocarmycins, is a hypoxia-selective prodrug active against radiation-resistant tumour cells at nontoxic doses in mice. An...

journal_title：ChemMedChem

authors： Tercel M,Lee HH,Yang S,Liyanage HD,Mehta SY,Boyd PD,Jaiswal JK,Tan KL,Pruijn FB

更新日期：2011-10-04 00:00:00

abstract：:Seasonal influenza infections are associated with an estimated 250-500 000 deaths annually. Resistance to the antiviral M2 ion-channel inhibitors has largely invalidated their clinical utility. Resistance to neuraminidase inhibitors has also been observed in several influenza A virus (IAV) strains. These data have pro...

journal_title：ChemMedChem

authors： Sagong HY,Bauman JD,Nogales A,Martínez-Sobrido L,Arnold E,LaVoie EJ

更新日期：2019-06-18 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：:In an approach to design drugs with higher affinity for π-π stacking and electrostatic interactions with targeted biomolecules, complexes of the type [{cis-Pt(A)2 (L)}2 -μ-{trans-1,4-dach}](NO3 )4 ((A)2 =(NH3 )2 or ethylenediamine (en), L=quinoline (quin) or benzothiazole (bztz), dach=trans-1,4-diaminocyclohexane) wer...

journal_title：ChemMedChem

authors： Ma ES,Daniel AG,Farrell NP

更新日期：2014-06-01 00:00:00

abstract：:Lysine-specific demethylase 1 (LSD1) is a flavin adenine dinucleotide (FAD)-dependent enzyme that catalyzes the demethylation of histone H3 and regulates gene expression. Because it is implicated in the regulation of diseases such as acute myeloid leukemia, potent LSD1-specific inhibitors have been pursued. Trans-2-ph...

journal_title：ChemMedChem

authors： Niwa H,Sato S,Handa N,Sengoku T,Umehara T,Yokoyama S

更新日期：2020-05-06 00:00:00

abstract：:Opening up ion channels: We synthesised a series of anthraquinone analogues, called the GoSlo-SR family. Their effects on bladder smooth muscle BK channels were examined and, as shown, shifted voltage dependent activation >-100 mV (at 10 μM). They were more efficacious than NS11021 and could provide a new scaffold for...

journal_title：ChemMedChem

authors： Roy S,Morayo Akande A,Large RJ,Webb TI,Camarasu C,Sergeant GP,McHale NG,Thornbury KD,Hollywood MA

更新日期：2012-10-01 00:00:00

abstract：:Targeting cytokines has become an important focus in the treatment of many inflammatory disorders. p38 MAP kinase (MAPK) is the key enzyme in regulating the biosynthesis and release of pro-inflammatory cytokines such as IL-1beta and TNFalpha. Inhibition of p38 MAPK results in decreased expression of these cytokines. T...

journal_title：ChemMedChem

authors： Ziegler K,Hauser DR,Unger A,Albrecht W,Laufer SA

更新日期：2009-11-01 00:00:00

abstract：:A common issue during drug design and development is the discovery of novel scaffolds for protein targets. On the one hand the chemical space of purchasable compounds is rather limited; on the other hand artificially generated molecules suffer from a grave lack of accessibility in practice. Therefore, we generated a n...

journal_title：ChemMedChem

authors： Humbeck L,Weigang S,Schäfer T,Mutzel P,Koch O

更新日期：2018-03-20 00:00:00

abstract：:Dopamine (DA) D(3) receptor antagonism might play a significant role in different therapeutic areas. A high number of preclinical studies on DA D(3) receptor antagonists have shown efficacy in animal models of Parkinson's disease, schizophrenia and drug dependence. This Review covers the activities of medicinal chemis...

journal_title：ChemMedChem

authors： Micheli F

更新日期：2011-07-04 00:00:00

abstract：:The Eph-ephrin system, including the EphA2 receptor and the ephrinA1 ligand, plays a critical role in tumor and vascular functions during carcinogenesis. We previously identified (3α,5β)-3-hydroxycholan-24-oic acid (lithocholic acid) as an Eph-ephrin antagonist that is able to inhibit EphA2 receptor activation; it is ...

journal_title：ChemMedChem

authors： Tognolini M,Incerti M,Hassan-Mohamed I,Giorgio C,Russo S,Bruni R,Lelli B,Bracci L,Noberini R,Pasquale EB,Barocelli E,Vicini P,Mor M,Lodola A

更新日期：2012-06-01 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：:This is, to our knowledge, the most comprehensive analysis to date based on generative topographic mapping (GTM) of fragment-like chemical space (40 million molecules with no more than 17 heavy atoms, both from the theoretically enumerated GDB-17 and real-world PubChem/ChEMBL databases). The challenge was to prove tha...

journal_title：ChemMedChem

authors： Lin A,Horvath D,Afonina V,Marcou G,Reymond JL,Varnek A

更新日期：2018-03-20 00:00:00

abstract：:Intraoperative imaging technologies recently entered the operating room, and their implementation is revolutionizing how physicians plan, monitor, and perform surgical interventions. In this work, we present a novel surgical imaging reporter system: intraoperative chemiluminescence imaging (ICI). To this end, we have ...

journal_title：ChemMedChem

authors： Büchel GE,Carney B,Shaffer TM,Tang J,Austin C,Arora M,Zeglis BM,Grimm J,Eppinger J,Reiner T

更新日期：2016-09-20 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：:The asymmetric synthesis and receptor pharmacology of (1S,2R,3R,5R,6S)-2-amino-3-Hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (+)-9 (HYDIA) and a few of its O-alkylated derivatives are described. The key step of the synthesis utilizes Sharpless' asymmetric dihydroxylation (AD-beta) for the kinetic resolution of ...

journal_title：ChemMedChem

authors： Woltering TJ,Adam G,Huguenin P,Wichmann J,Kolczewski S,Gatti S,Bourson A,Kew JN,Richards G,Kemp JA,Mutel V,Knoflach F

更新日期：2008-02-01 00:00:00

abstract：:Antimicrobial peptides (AMPs) are promising candidates to help circumvent antibiotic resistance, which is an increasing clinical problem. Amino-terminal copper and nickel (ATCUN) binding motifs are known to actively form reactive oxygen species (ROS) upon metal binding. The combination of these two peptidic constructs...

journal_title：ChemMedChem

authors： Libardo MD,Cervantes JL,Salazar JC,Angeles-Boza AM

更新日期：2014-08-01 00:00:00

abstract：:A DNA-encoded chemical library (DECL) with 1.2 million compounds was synthesized by combinatorial reaction of seven central scaffolds with two sets of 343×492 building blocks. Library screening by affinity capture revealed that for some target proteins, the chemical nature of building blocks dominated the selection re...

journal_title：ChemMedChem

authors： Favalli N,Biendl S,Hartmann M,Piazzi J,Sladojevich F,Gräslund S,Brown PJ,Näreoja K,Schüler H,Scheuermann J,Franzini R,Neri D

更新日期：2018-07-06 00:00:00

abstract：:The development of more selective chemotherapeutic agents for benign treatments of malicious diseases is highly desirable. In recent years model systems for the release of small molecule drugs from nucleic acid conjugates by templated chemical or photochemical reactions have been designed. Common for these systems is ...

journal_title：ChemMedChem

authors： Jacobsen MF,Cló E,Mokhir A,Gothelf KV

更新日期：2007-06-01 00:00:00

abstract：:Targeting LRH-1: Virtual screening and molecular modeling were used to identify novel antagonists of liver receptor homolog-1 (LRH-1), an emerging therapeutic target for breast cancer. Hit compounds were synthesized and biologically assayed, and the preliminary results suggest that raloxifene-based analogues, substitu...

journal_title：ChemMedChem

authors： Rey J,Hu H,Kyle F,Lai CF,Buluwela L,Coombes RC,Ortlund EA,Ali S,Snyder JP,Barrett AG

更新日期：2012-11-01 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：:Despite various inhibitors targeting the zinc center(s) of enzymes, drugs that target zinc fingers have not been examined in detail. We previously developed a dithiol compound named SN-1 that has an inhibitory effect on the function of zinc finger transcription factors, but its mechanism of action has not yet been elu...

journal_title：ChemMedChem

authors： Koga R,Radwan MO,Ejima T,Kanemaru Y,Tateishi H,Ali TFS,Ciftci HI,Shibata Y,Taguchi Y,Inoue JI,Otsuka M,Fujita M

更新日期：2017-12-07 00:00:00

abstract：:Herein we propose the D-Trp-Phe sequence within an inverse type II β-turn as a new kind of pharmacophoric motif for μ-opioid receptor (MOR) cyclopeptide agonists. Initially, we observed that c[Tyr-D-Pro-D-Trp-Phe-Gly] (4), an analogue of endomorphin-1 (H-Tyr-Pro-Trp-Phe-NH₂) lacking the crucial protonatable amino grou...

journal_title：ChemMedChem

authors： Gentilucci L,Tolomelli A,De Marco R,Spampinato S,Bedini A,Artali R

更新日期：2011-09-05 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：:β-Sheet antimicrobial peptides (AMPs) are well recognized as promising candidates for the treatment of multidrug-resistant bacterial infections. To dissociate antimicrobial activity and hemolytic effect of β-sheet AMPs, we hypothesize that N-methylation of the intramolecular hydrogen bond(s)-forming amides could impro...

journal_title：ChemMedChem

authors： Li Y,Bionda N,Yongye A,Geer P,Stawikowski M,Cudic P,Martinez K,Houghten RA

更新日期：2013-11-01 00:00:00