Rational design, synthesis, and evaluation of nanomolar type II dehydroquinase inhibitors.

abstract：:Over the years, the 2-substituted imidazoline nucleus has been demonstrated to be a bioversatile structural motif. In this study, novel imidazoline derivatives bearing a 3- and/or 4-hydroxy- or methoxy-substituted phenyl ring, linked by an ethylene bridge to position 2 of an N-benzyl- or N-phenethyl-substituted imidaz...

journal_title：ChemMedChem

authors： Mammoli V,Bonifazi A,Dal Ben D,Giannella M,Giorgioni G,Piergentili A,Pigini M,Quaglia W,Thomas A,Newman AH,Ferré S,Sanchez-Soto M,Keck TM,Del Bello F

更新日期：2016-08-19 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：:Vascular endothelial growth factor receptor 2 (VEGFR2) has been proven to play a major role in the regulation of tumor angiogenesis. A series of novel glycyrrhetic acid derivatives were synthesized and evaluated for their VEGFR2 inhibitory activity as well as their antiproliferative properties against four cancer cell...

journal_title：ChemMedChem

authors： Yan TL,Bai LF,Zhu HL,Zhang WM,Lv PC

更新日期：2017-07-06 00:00:00

abstract：:Identification of potent agonists of odorant receptors (ORs), a major class of G protein-coupled receptors, remains challenging due to complex receptor-ligand interactions. ORs are present in both olfactory and non-chemosensory tissues, indicating roles beyond odor detection that may include modulating physiological f...

journal_title：ChemMedChem

authors： Park BB,Lee N,Kim Y,Jae Y,Choi S,Kang N,Hong YR,Ok K,Cho J,Jeon YH,Lee EH,Byun Y,Koo J

更新日期：2017-04-06 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：:The disruption of aberrant protein-protein interactions (PPIs) with synthetic agents remains a challenging goal in contemporary medicinal chemistry but some progress has been made. One such dysregulated PPI is that between the anti-apoptotic Bcl-2 proteins, including myeloid cell leukemia-1 (Mcl-1), and the α-helical ...

journal_title：ChemMedChem

authors： Drennen B,Scheenstra JA,Yap JL,Chen L,Lanning ME,Roth BM,Wilder PT,Fletcher S

更新日期：2016-04-19 00:00:00

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：:The consumption of Brassica vegetables provides beneficial effects through organic isothiocyanates (ITCs), products of the enzymatic hydrolysis of glucosinolate secondary metabolites. The ITC l-sulforaphane (l-SFN) is the principle agent in broccoli that demonstrates several modes of anticancer action. While the antic...

journal_title：ChemMedChem

authors： Anderson RH,Lensing CJ,Forred BJ,Amolins MW,Aegerter CL,Vitiello PF,Mays JR

更新日期：2018-08-20 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：:Uropathogenic E. coli (UPEC) employ the mannose-binding adhesin FimH to colonize the bladder epithelium during urinary tract infection (UTI). Previously reported FimH antagonists exhibit good potency and efficacy, but low bioavailability and a short half-life in vivo. In a rational design strategy, we obtained an X-ra...

journal_title：ChemMedChem

authors： Jarvis C,Han Z,Kalas V,Klein R,Pinkner JS,Ford B,Binkley J,Cusumano CK,Cusumano Z,Mydock-McGrane L,Hultgren SJ,Janetka JW

更新日期：2016-02-17 00:00:00

abstract：:Herein we report the synthesis, photophysical properties, positron emission tomography (PET) imaging and photodynamic therapy (PDT) efficacy of methyl 3-(1'-m-iodobenzyloxy)ethyl-3-devinyl-verdin 4 (with or without the 124 I isotope). The PET imaging ability and ex vivo biodistribution of [124 I]4 were compared with t...

journal_title：ChemMedChem

authors： Marko AJ,Dukh M,Patel NJ,Missert JR,Ohulchanskyy T,Tabaczynski WA,Ohkubo K,Fukuzumi S,Yao R,Sajjad M,Pandey RK

更新日期：2019-08-20 00:00:00

abstract：:The protozoan parasite Plasmodium falciparum causes the most severe and prevailing form of malaria in sub-Saharan Africa. Previously, we identified the plasmodial lactate transporter, PfFNT, a member of the microbial formate-nitrite transporter family, as a novel antimalarial drug target. With the pentafluoro-3-hydrox...

journal_title：ChemMedChem

authors： Walloch P,Hansen C,Priegann T,Schade D,Beitz E

更新日期：2020-12-18 00:00:00

abstract：:Disturbances of neutrotransmission at the dopamine D3 receptor are related to several neuropsychiatric diseases and in particular to drug addiction. Herein, we report the computer-assisted prediction of D3 selectivities of new fluoroalkoxy-substituted receptor ligands by means of 3D-QSAR analysis. As close analogues o...

journal_title：ChemMedChem

authors： Hocke C,Prante O,Salama I,Hübner H,Löber S,Kuwert T,Gmeiner P

更新日期：2008-05-01 00:00:00

abstract：:Polo-like kinase 1 (PLK1) plays crucial functions in multiple stages of mitosis and is considered to be a potential drug target for cancer therapy. The functions of PLK1 are mediated by its N-terminal kinase domain and C-terminal polo-box domain (PBD). Most inhibitors targeting the kinase domain of PLK1 have a selecti...

journal_title：ChemMedChem

authors： Shan HM,Shi Y,Quan J

更新日期：2015-01-01 00:00:00

abstract：:TIBO- and TBO-like sulfone derivatives 1 and 2 were designed, synthesized, and tested for their ability to block the replication cycle of HIV-1 in infected cells. The anti-HIV-1 activities of sulfones 3, which were intermediates in the syntheses of 1 and 2, were also evaluated. Surprisingly, the sulfone analogues of T...

journal_title：ChemMedChem

authors： Di Santo R,Costi R,Artico M,Ragno R,Lavecchia A,Novellino E,Gavuzzo E,La Torre F,Cirilli R,Cancio R,Maga G

更新日期：2006-01-01 00:00:00

abstract：:Nuclear magnetic resonance (NMR) spectroscopy is a valuable technique for ligand screening, because it exhibits high specificity toward chemical structure and interactions. Dissolution dynamic nuclear polarization (DNP) is a recent advance in NMR methodology that enables the creation of non-equilibrium spin states, wh...

journal_title：ChemMedChem

authors： Min H,Sekar G,Hilty C

更新日期：2015-09-01 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：:The design of compounds selective for the MT1 melatonin receptor is still a challenging task owing to the limited knowledge of the structural features conferring selectivity for the MT1 subtype, and only few selective compounds have been reported so far. N-(Anilinoalkyl)amides are a versatile class of melatonin recept...

journal_title：ChemMedChem

authors： Rivara S,Pala D,Lodola A,Mor M,Lucini V,Dugnani S,Scaglione F,Bedini A,Lucarini S,Tarzia G,Spadoni G

更新日期：2012-11-01 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：:In the present review the crucial role of the guanidinium functional group in facilitating the transport of dendritic polymers through liposomal and cell membranes is discussed, along with other structural features of guanidinylated dendritic polymers that fine-tune their transport properties, and even determine their...

journal_title：ChemMedChem

authors： Theodossiou TA,Pantos A,Tsogas I,Paleos CM

更新日期：2008-11-01 00:00:00

abstract：:Cancer cells express high levels of CK2, and its inhibition leads to apoptosis. CK2 has therefore emerged as a new drug target for cancer therapy. A biligand inhibitor ARC-772 was constructed by conjugating 4-(2-amino-1,3-thiazol-5-yl)benzoic acid and a carboxylate-rich peptoid. ARC-772 was found to bind CK2 with a Kd...

journal_title：ChemMedChem

authors： Rahnel H,Viht K,Lavogina D,Mazina O,Haljasorg T,Enkvist E,Uri A

更新日期：2017-10-20 00:00:00

abstract：:Salecan is a water-soluble bacterial polysaccharide consisting of glucopyranosyl units linked by α-1,3 and β-1,3 glycosidic bonds. salecan is suitable for the development of hydrogels for biomedical applications, given its outstanding physicochemical and biological profiles. In this study we designed a new semi-interp...

journal_title：ChemMedChem

authors： Qi X,Li J,Wei W,Su T,Zuo G,Pan X,Zhang J,Dong W

更新日期：2017-01-20 00:00:00

abstract：:N-Myristoyltransferase (NMT) is a cytosolic monomeric enzyme present in eukaryotes such as fungi and protozoa, but is not found in prokaryotes. The attachment of a 14-carbon saturated fatty acid, myristate, from myristoyl-CoA (14:0 CoA) to the N-terminal glycine residue in a specific set of cellular proteins is common...

journal_title：ChemMedChem

authors： Zhao C,Ma S

更新日期：2014-11-01 00:00:00

abstract：:Discovered as a modulator of the toxic response to environmental pollutants, aryl hydrocarbon receptor (AhR) has recently gained attention for its involvement in various physiological and pathological pathways. AhR is a ligand-dependent transcription factor activated by a large array of chemical compounds, which inclu...

journal_title：ChemMedChem

authors： Dolciami D,Gargaro M,Cerra B,Scalisi G,Bagnoli L,Servillo G,Fazia MAD,Puccetti P,Quintana FJ,Fallarino F,Macchiarulo A

更新日期：2018-02-06 00:00:00

abstract：:Protein tyrosine phosphatase 1B (PTP1B) is an important target for the treatment of diabetes. A series of thiazolidin-4-one derivatives 8-22 was designed, synthesized and investigated as PTP1B inhibitors. The new molecules inhibited PTP1B with IC50 values in the micromolar range. 5-(Furan-2-ylmethylene)-2-(4-nitrophen...

journal_title：ChemMedChem

authors： Patel AD,Pasha TY,Lunagariya P,Shah U,Bhambharoliya T,Tripathi RKP

更新日期：2020-07-03 00:00:00

abstract：:The ferrocenyl diphenol complexes 1,1-bis(4'-hydroxyphenyl)-2-ferrocenyl-but-1-ene (1) and 1,2-bis(4'-hydroxyphenyl)-1-ferrocenyl-but-1-ene [(Z)-2], which differ by the relative position of the two phenolic substituents, display dramatically different antiproliferative activities on cancer cells (1 is far more cytotox...

journal_title：ChemMedChem

authors： Tonolo F,Salmain M,Scalcon V,Top S,Pigeon P,Folda A,Caron B,McGlinchey MJ,Toillon RA,Bindoli A,Jaouen G,Vessières A,Rigobello MP

更新日期：2019-10-04 00:00:00

abstract：:To ascertain whether increasing hydrophobicity can enhance the activity of second-generation antisense oligonucleotides (ASOs) in muscle, we investigated the antisense properties of 2'-O-(2S-methoxypropyl)-RNA (2S-MOP)-modified ASOs. Synthesis of the 2S-MOP 5-methyl uridine phosphoramidite was accomplished on a multi-...

journal_title：ChemMedChem

authors： Yu J,Pandey SK,Khatri H,Prakash TP,Swayze EE,Seth PP

更新日期：2014-09-01 00:00:00

abstract：:A small library of 17 organoruthenium compounds with the general formula [RuII (fcl)(chel)(L)]n+ (in which fcl=face capping ligand, chel=chelating bidentate ligand, and L=monodentate ligand) were screened for inhibitory activity against cholinesterases and glutathione-S-transferases of human and animal origins. Compou...

journal_title：ChemMedChem

authors： Ristovski S,Uzelac M,Kljun J,Lipec T,Uršič M,Zemljič Jokhadar Š,Žužek MC,Trobec T,Frangež R,Sepčić K,Turel I

更新日期：2018-10-22 00:00:00

abstract：:We developed new 10 B carriers for boron neutron capture therapy (BNCT) that can effectively transport and accumulate boron clusters into cells. These carriers consist of a lipopeptide, mercaptoundecahydrododecaborate (BSH), and a disulfide linker. The carriers were conceived according to the structure of pepducin, a ...

journal_title：ChemMedChem

authors： Isono A,Tsuji M,Sanada Y,Matsushita A,Masunaga S,Hirayama T,Nagasawa H

更新日期：2019-04-17 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