Small Structural Differences between Two Ferrocenyl Diphenols Determine Large Discrepancies of Reactivity and Biological Effects.

abstract：:It has been 25 years since the development of the first efficient HIV-1/AIDS treatment. Scientists now know more about the HIV-1 infection life cycle, and more than 30 antiretroviral drugs have been developed, including HIV-1 fusion inhibitors. Fundamental work was begun in the early 1990s and led to the development o...

journal_title：ChemMedChem

authors： Cai L,Jiang S

更新日期：2010-11-08 00:00:00

abstract：:A series of 1,3,3,4-tetrasubstituted pyrrolidine containing CCR5 receptor antagonists were designed, which were elaborated either by condensation of a lithium salt of 3-(N,N-dibenzyl)aminopropionic acid methyl ester with ethyl benzoformate or by Baylis-Hillman reaction of ethyl acrylate with ethyl benzoformate and sub...

journal_title：ChemMedChem

authors： Ma D,Yu S,Li B,Chen L,Chen R,Yu K,Zhang L,Chen Z,Zhong D,Gong Z,Wang R,Jiang H,Pei G

更新日期：2007-02-01 00:00:00

abstract：:The gold standard for the treatment of metastatic colorectal cancer consists of combination chemotherapy. Over time, however, the development of chemoresistant tumor clones leads to relapse. It may be possible to overcome oxaliplatin chemoresistance in colorectal cancer cells by exploiting a complex obtained from the ...

journal_title：ChemMedChem

authors： Gandin V,Marzano C,Pelosi G,Ravera M,Gabano E,Osella D

更新日期：2014-06-01 00:00:00

abstract：:The CXCR3 receptor, a class A G protein-coupled receptor (GPCR), is involved in the regulation and trafficking of various immune cells. CXCR3 antagonists have been proposed to be beneficial for the treatment of a wide range of disorders including but not limited to inflammatory and autoimmune diseases. The structure-b...

journal_title：ChemMedChem

authors： Admas TH,Bernat V,Heinrich MR,Tschammer N

更新日期：2016-03-17 00:00:00

abstract：:Silent Night: Antagonism of the orexin (or hypocretin) system has recently been identified as a novel mechanism for the treatment of insomnia. Herein, we describe discovery of a dual (OX(1)R/OX(2)R) orexin receptor antagonist featuring a 1,4-diazepane central constraint that blocks orexin signaling in vivo. In telemet...

journal_title：ChemMedChem

authors： Whitman DB,Cox CD,Breslin MJ,Brashear KM,Schreier JD,Bogusky MJ,Bednar RA,Lemaire W,Bruno JG,Hartman GD,Reiss DR,Harrell CM,Kraus RL,Li Y,Garson SL,Doran SM,Prueksaritanont T,Li C,Winrow CJ,Koblan KS,Renger JJ,C

更新日期：2009-07-01 00:00:00

abstract：:Structural preorganization to fix bioactive conformations at protein binding sites is a popular strategy to enhance binding affinity during late-stage optimization. The rationale for this enhancement relates to entropic advantages assigned to rigidified versus flexible ligands. We analyzed a narrow series of peptidomi...

journal_title：ChemMedChem

authors： Rühmann EH,Rupp M,Betz M,Heine A,Klebe G

更新日期：2016-02-04 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：:A series of four stable synthetic bacteriochlorins was tested in vitro in HeLa cells for their potential in photodynamic therapy (PDT). The parent bacteriochlorin (BC), dicyano derivative (NC)(2)BC and corresponding zinc chelate (NC)(2)BC-Zn and palladium chelate (NC)(2)BC-Pd were studied. Direct dilution of a solutio...

journal_title：ChemMedChem

authors： Huang YY,Balasubramanian T,Yang E,Luo D,Diers JR,Bocian DF,Lindsey JS,Holten D,Hamblin MR

更新日期：2012-12-01 00:00:00

abstract：:Nitrogen mustards are an important class of bifunctional alkylating agents routinely used in chemotherapy. They react with DNA as electrophiles through the formation of highly reactive aziridinium ion intermediates. The antibiotic 593A, with potential antitumor activity, can be considered a naturally occurring piperid...

journal_title：ChemMedChem

authors： Zuravka I,Roesmann R,Sosic A,Wende W,Pingoud A,Gatto B,Göttlich R

更新日期：2014-09-01 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：:Oxoisoaporphine alkaloids are a family of oxoisoquinoline-derived alkaloids that were first isolated from the rhizome of Menispermum dauricum DC. (Menispermaceae). It has been demonstrated that oxoisoaporphine alkaloids possess various biological properties, such as cholinesterase and β-amyloid inhibition, acting as a...

journal_title：ChemMedChem

authors： Zhang J,Chen L,Sun J

更新日期：2018-07-06 00:00:00

abstract：:The β-site amyloid precursor protein cleaving enzyme 1 (BACE1, also known as β-secretase) is a promising target for the treatment of Alzheimer's disease. A pKa lowering approach over the initial leads was adopted to mitigate hERG inhibition and P-gp efflux, leading to the design of 6-CF3 dihydrothiazine 8 (N-(3-((4S,6...

journal_title：ChemMedChem

authors： Anan K,Iso Y,Oguma T,Nakahara K,Suzuki S,Yamamoto T,Matsuoka E,Ito H,Sakaguchi G,Ando S,Morimoto K,Kanegawa N,Kido Y,Kawachi T,Fukushima T,Teisman A,Urmaliya V,Dhuyvetter D,Borghys H,Austin N,Van Den Bergh A,Ver

更新日期：2019-11-20 00:00:00

abstract：:Recently we reported on aryl-fluorosulfates as possible stable and effective electrophiles for the design of lysine covalent, cell permeable antagonists of protein-protein interactions (PPIs). Here we revisit the use of aryl-sulfonyl fluorides as Lys-targeting moieties, incorporating these electrophiles in XIAP (X-lin...

journal_title：ChemMedChem

authors： Gambini L,Udompholkul P,Salem AF,Baggio C,Pellecchia M

更新日期：2020-11-18 00:00:00

abstract：:Designed multitarget ligands are a popular approach to generating efficient and safe drugs, and fragment-based strategies have been postulated as a versatile avenue to discover multitarget ligand leads. To systematically probe the potential of fragment-based multiple ligand discovery, we have employed a large fragment...

journal_title：ChemMedChem

authors： Brunst S,Kramer JS,Kilu W,Heering J,Pollinger J,Hiesinger K,George S,Steinhilber D,Merk D,Proschak E

更新日期：2020-12-06 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：:N-Acylethanolamine acid amidase (NAAA) is a cysteine amidase that preferentially hydrolyzes saturated or monounsaturated fatty acid ethanolamides (FAEs), such as palmitoylethanolamide (PEA) and oleoylethanolamide (OEA), which are endogenous agonists of nuclear peroxisome proliferator-activated receptor-α (PPAR-α). Com...

journal_title：ChemMedChem

authors： Vitale R,Ottonello G,Petracca R,Bertozzi SM,Ponzano S,Armirotti A,Berteotti A,Dionisi M,Cavalli A,Piomelli D,Bandiera T,Bertozzi F

更新日期：2014-02-01 00:00:00

abstract：:The histone methyltransferase SET7/9 methylates not only histone but also non-histone proteins as substrates, and therefore, SET7/9 inhibitors are considered candidates for the treatment of diseases. Previously, our group identified cyproheptadine, used clinically as a serotonin receptor antagonist and histamine recep...

journal_title：ChemMedChem

authors： Hirano T,Fujiwara T,Niwa H,Hirano M,Ohira K,Okazaki Y,Sato S,Umehara T,Maemoto Y,Ito A,Yoshida M,Kagechika H

更新日期：2018-08-10 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：:Steroid derivatives bearing fluorescent groups such as anthracene, dansyl, deazaflavin, and pyrene attached to C6 were synthesized. These compounds are unique inhibitors of cytochrome P450 3A4 (CYP3A4) and display similar IC(50) values in the microM range for the CYP3A4 substrates midazolam, testosterone, and nifedipi...

journal_title：ChemMedChem

authors： Chougnet A,Grinkova Y,Ricard D,Sligar S,Woggon WD

更新日期：2007-05-01 00:00:00

abstract：:Protein-protein interactions (PPIs) control many cellular processes in cancer and tumour growth. Of significant interest is the role PPIs play in regulating apoptosis. The overexpression of the antiapoptosis regulating Bcl-2 family of proteins is commonly observed in several cancers, leading to resistance towards both...

journal_title：ChemMedChem

authors： Beekman AM,O'Connell MA,Howell LA

更新日期：2016-04-19 00:00:00

abstract：:The molecular hybridization of different compounds with known pharmacological activity is a particularly prominent approach for the design of potential drugs with improved pharmacokinetic profiles. Much attention over the last decade has been focused on the synthesis of hybrid structures with a nitric oxide (NO)-donor...

journal_title：ChemMedChem

authors： Fershtat LL,Makhova NN

更新日期：2017-05-09 00:00:00

abstract：:A novel type of oligonucleotide has been developed, characterized by the attachment of a lysyl moiety to a 2'-O-aminohexyl linker. A protected lysine building block was tethered to 2'-O-aminohexyluridine, and the product was converted into the corresponding phosphoramidite. Up to six modified nucleosides were incorpor...

journal_title：ChemMedChem

authors： Winkler J,Gilbert M,Kocourková A,Stessl M,Noe CR

更新日期：2008-01-01 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：:β-Lactamases (BLs) are important antibiotic-resistance determinants that significantly compromise the efficacy of valuable β-lactam antibacterial drugs. Thus, combinations with BL inhibitor were developed. Avibactam is the first non-β-lactam BL inhibitor introduced into clinical practice. Ceftazidime-avibactam represe...

journal_title：ChemMedChem

authors： Pozzi C,Di Pisa F,De Luca F,Benvenuti M,Docquier JD,Mangani S

更新日期：2018-07-18 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：: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：:We report the synthesis of trifluoromethylated metallocenes (M=Fe, Ru) and related metal-free compounds for comparison of their biological properties with the aim to establish structure-activity relationships toward the anti-proliferative activity of this compound class. All new compounds were comprehensively characte...

journal_title：ChemMedChem

authors： Maschke M,Alborzinia H,Lieb M,Wölfl S,Metzler-Nolte N

更新日期：2014-06-01 00:00:00

abstract：:(±)-6-Alkyl-2,4-diaminopyrimidine-based inhibitors of bacterial dihydrofolate reductase (DHFR) have been prepared and evaluated for biological potency against Bacillus anthracis and Staphylococcus aureus. Biological studies revealed attenuated activity relative to earlier structures lacking substitution at C6 of the d...

journal_title：ChemMedChem

authors： Nammalwar B,Bourne CR,Bunce RA,Wakeham N,Bourne PC,Ramnarayan K,Mylvaganam S,Berlin KD,Barrow EW,Barrow WW

更新日期：2012-11-01 00:00:00

abstract：:Given its role in the mediation of energy and glucose homeostasis, the G-protein-coupled bile acid receptor 1 (TGR5) is considered a potential target for the treatment of type 2 diabetes mellitus and other metabolic disorders. By thorough analysis of diverse structures of published TGR5 agonists, a hypothetical ligand...

journal_title：ChemMedChem

authors： Zhu J,Ye Y,Ning M,Mándi A,Feng Y,Zou Q,Kurtán T,Leng Y,Shen J

更新日期：2013-07-01 00:00:00

abstract：:Monoamine oxidase B (MAO-B) is an important drug target for the treatment of neurological disorders. A series of 6-nitrobenzothiazole-derived semicarbazones were designed, synthesized, and evaluated as inhibitors of the rat brain MAO-B isoenzyme. Most of the compounds were found to be potent inhibitors of MAO-B, with ...

journal_title：ChemMedChem

authors： Tripathi RK,Goshain O,Ayyannan SR

更新日期：2013-03-01 00:00:00