Synthesis of imidazothiazole-chalcone derivatives as anticancer and apoptosis inducing agents.

abstract：:PH-797804 ((aS)-3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamde) is a diarylpyridinone inhibitor of p38 mitogen-activated protein (MAP) kinase derived from a racemic mixture as the more potent atropisomer (aS), first proposed by molecular modeling and subsequently confirmed ...

journal_title：ChemMedChem

authors： Xing L,Devadas B,Devraj RV,Selness SR,Shieh H,Walker JK,Mao M,Messing D,Samas B,Yang JZ,Anderson GD,Webb EG,Monahan JB

更新日期：2012-02-06 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：:P-glycoprotein (P-gp)-mediated multidrug resistance (MDR) is a major obstacle for successful cancer chemotherapy. Based on our previous study, 17 novel compounds with the 6,7-dimethoxy-2-{2-[4-(1H-1,2,3-triazol-1-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinoline scaffold were designed and synthesized. Among them, 2-[(1-...

journal_title：ChemMedChem

authors： Liu B,Qiu Q,Zhao T,Jiao L,Li Y,Huang W,Qian H

更新日期：2015-02-01 00:00:00

abstract：:Cardiotoxicity is a common side effect of a large variety of drugs that is often caused by off-target human ether-à-go-go-related gene (hERG) potassium channel blockade. In this study, we designed and synthesized a series of derivatives of the class III antiarrhythmic agent E-4031. These compounds where evaluated in a...

journal_title：ChemMedChem

authors： Vilums M,Overman J,Klaasse E,Scheel O,Brussee J,IJzerman AP

更新日期：2012-01-02 00:00:00

abstract：:A novel Ru(II) (arene) theranostic complex is presented. It is based on a 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid macrocycle bearing a triarylphosphine and can be tracked in vivo by using the γ emission of (153) Sm atoms. Notably, the heteroditopic ligand can be selectively metalated with ruthenium at...

journal_title：ChemMedChem

authors： Adriaenssens L,Liu Q,Chaux-Picquet F,Tasan S,Picquet M,Denat F,Le Gendre P,Marques F,Fernandes C,Mendes F,Gano L,Campello MP,Bodio E

更新日期：2014-07-01 00:00:00

abstract：:Indanesulfonamides are interesting lead compounds for designing selective inhibitors of the different isoforms of the zinc enzyme Carbonic Anhydrase (CA). Herein, we report for the first time the X-ray crystal structure of two such derivatives, namely indane-5-sulfonamide and indane-2-valproylamido-5-sulfonamide, in c...

journal_title：ChemMedChem

authors： D'Ambrosio K,Masereel B,Thiry A,Scozzafava A,Supuran CT,De Simone G

更新日期：2008-03-01 00:00:00

abstract：:Herein we report the design, synthesis, X-ray structural, and biological studies of an exceptionally potent HIV-1 protease inhibitor, compound 5 ((3S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl ((2S,3R)-4-((2-(cyclopropylamino)-N-isobutylbenzo[d]thiazole)-6-sulfonamido)-1-(3,5-difluorophenyl)-3-hydroxybutan-...

journal_title：ChemMedChem

authors： Ghosh AK,Rao KV,Nyalapatla PR,Kovela S,Brindisi M,Osswald HL,Sekhara Reddy B,Agniswamy J,Wang YF,Aoki M,Hattori SI,Weber IT,Mitsuya H

更新日期：2018-04-23 00:00:00

abstract：:DNA hypomethylating drugs that act on DNA methyltransferase (DNMT) isoforms are promising anticancer agents. By using a well-characterized live-cell system to measure DNA methylation revisions (imprints), we characterize olsalazine, an approved anti-inflammatory drug, as a novel DNA hypomethylating agent. The cell-bas...

journal_title：ChemMedChem

authors： Méndez-Lucio O,Tran J,Medina-Franco JL,Meurice N,Muller M

更新日期：2014-03-01 00:00:00

abstract：:A structure-activity relationship around the amine group of the ambruticin VS series has been developed for antifungal activity. It was shown that the amine can be alkylated through reductive amination without loss of potency. However, if it is converted into either an amide, carbamate, or urea, a significant loss of ...

journal_title：ChemMedChem

authors： Tian ZQ,Wang Z,Xu Y,Tran CQ,Myles DC,Zhong Z,Simmons J,Vetcher L,Katz L,Li Y,Shaw SJ

更新日期：2008-06-01 00:00:00

abstract：:Tau-tubulin kinase 1 (TTBK1) is a serine/threonine/tyrosine kinase that putatively phosphorylates residues including S422 in tau protein. Hyperphosphorylation of tau protein is the primary cause of tau pathology and neuronal death associated with Alzheimer's disease. A library of 12 truncation variants comprising the ...

journal_title：ChemMedChem

authors： Xue Y,Wan PT,Hillertz P,Schweikart F,Zhao Y,Wissler L,Dekker N

更新日期：2013-11-01 00:00:00

abstract：:Digital Drug Discovery: Guest Editors Andreas Bender (University of Cambridge) and Nathan Brown (BenevolentAI) present the 20 articles included in this Special Issue on Cheminformatics in Drug Design. As they summarize each article, they also discuss the common themes within in silico drug discovery that these papers ...

journal_title：ChemMedChem

authors： Bender A,Brown N

更新日期：2018-03-20 00:00:00

abstract：:We synthesized potential inhibitors of farnesyl diphosphate synthase (FPPS), undecaprenyl diphosphate synthase (UPPS), or undecaprenyl diphosphate phosphatase (UPPP), and tested them in bacterial cell growth and enzyme inhibition assays. The most active compounds were found to be bisphosphonates with electron-withdraw...

journal_title：ChemMedChem

authors： Desai J,Wang Y Dr,Wang K Dr,Malwal SR Dr,Oldfield E

更新日期：2016-10-06 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：:Six phosphorescent (2-phenyl)pyridine (ppy) gold(III) 2,4,6-tris(trifluoromethyl)phenyl (FMes) complexes were synthesized and investigated for their anticancer potential. The compounds demonstrated strong antiproliferative activity, with EC50 values in the low micromolar range, along with significant accumulation in H...

journal_title：ChemMedChem

authors： Rubbiani R,Zehnder TN,Mari C,Blacque O,Venkatesan K,Gasser G

更新日期：2014-12-01 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：:Natural products containing the α,β-unsaturated δ-lactone skeleton have been shown to possess a variety of biological activities. The natural product (-)-tarchonanthuslactone (1) possessing this privileged scaffold is a popular synthetic target, but its biological activity remains underexplored. Herein, the total synt...

journal_title：ChemMedChem

authors： Toneto Novaes LF,Martins Avila C,Pelizzaro-Rocha KJ,Vendramini-Costa DB,Pereira Dias M,Barbosa Trivella DB,Ernesto de Carvalho J,Ferreira-Halder CV,Pilli RA

更新日期：2015-10-01 00:00:00

abstract：:A facile protocol that enables synthetic interconversion of CUR-BF2 and CUR compounds is described that significantly widens the preparative scope of curcuminoids, providing access to larger libraries of compounds, thus enabling comparative antiproliferative and apoptotic study of a larger library of synthetic analogs...

journal_title：ChemMedChem

authors： Abonia R,Laali KK,Raja Somu D,Bunge SD,Wang EC

更新日期：2020-02-17 00:00:00

abstract：:In the present study the importance of the active site histidine residue (His) for the activity of epoxide- or aziridine-based cysteine protease inhibitors is examined theoretically. To account for all important effects, QM/MM hybrid approaches are employed which combine quantum mechanical (QM) methods that are necess...

journal_title：ChemMedChem

authors： Mladenovic M,Schirmeister T,Thiel S,Thiel W,Engels B

更新日期：2007-01-01 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：: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：:Protein-protein and protein-carbohydrate interactions as a means to target the cell surface for therapeutic applications have been extensively investigated. However, carbohydrate-carbohydrate interactions (CCIs) have largely been overlooked. Here, we investigate the concept of CCI-mediated drug delivery. Lactose-funct...

journal_title：ChemMedChem

authors： Murthy RV,Bavireddi H,Gade M,Kikkeri R

更新日期：2015-05-01 00:00:00

abstract：:γ-Glutamylcyclotransferase (GGCT) depletion inhibits cancer cell proliferation. However, whether the enzymatic activity of GGCT is critical for the regulation of cancer cell growth remains unclear. In this study, a novel diester-type cell-permeable prodrug, pro-GA, was developed based on the structure of N-glutaryl-l-...

journal_title：ChemMedChem

authors： Ii H,Yoshiya T,Nakata S,Taniguchi K,Hidaka K,Tsuda S,Mochizuki M,Nishiuchi Y,Tsuda Y,Ito K,Kageyama S,Yoshiki T

更新日期：2018-01-22 00:00:00

abstract：:A series of cis-configured epoxides and aziridines containing hydrophobic moieties and amino acid esters were synthesized as new potential inhibitors of the secreted aspartic protease 2 (SAP2) of Candida albicans. Enzyme assays revealed the N-benzyl-3-phenyl-substituted aziridines 11 and 17 as the most potent inhibito...

journal_title：ChemMedChem

authors： Degel B,Staib P,Rohrer S,Scheiber J,Martina E,Büchold C,Baumann K,Morschhäuser J,Schirmeister T

更新日期：2008-02-01 00:00:00

abstract：:The natural product acivicin inhibits the glutaminase activity of cytidine triphosphate (CTP) synthetase and is a potent lead compound for drug discovery in the area of neglected tropical diseases, specifically trypanosomaisis. A 2.1-Å-resolution crystal structure of the acivicin adduct with the glutaminase domain fro...

journal_title：ChemMedChem

authors： Oliveira de Souza J,Dawson A,Hunter WN

更新日期：2017-04-20 00:00:00

abstract：:Global pharmaceutical and biotechnology companies have been building increasingly on the skills and services offered by Indian biotech companies through strategic collaborative partnerships and alliances to fuel their in-house discovery and development pipelines. With the exception of generic press releases, however, ...

journal_title：ChemMedChem

authors： Differding E

更新日期：2014-01-01 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：:We recently reported a vitamin B(12) (B(12)) based insulin conjugate that produced significantly decreased blood glucose levels in diabetic STZ-rat models. The results of this study posed a fundamental question, namely what implications does B(12) conjugation have on insulin's interaction with the insulin receptor (IR...

journal_title：ChemMedChem

authors： Petrus AK,Allis DG,Smith RP,Fairchild TJ,Doyle RP

更新日期：2009-03-01 00:00:00

abstract：:A severe limitation in cancer therapy is the often insufficient differentiation between malign and benign tissue using known chemotherapeutics. One approach to decrease side effects is antibody-directed enzyme prodrug therapy (ADEPT). We have developed new glycosidic prodrugs such as (-)-(1S)-26 b based on the antibio...

journal_title：ChemMedChem

authors： Tietze LF,von Hof JM,Krewer B,Müller M,Major F,Schuster HJ,Schuberth I,Alves F

更新日期：2008-12-01 00:00:00

abstract：:A series of water-soluble (benzoyloxy)methyl esters of acetylsalicylic acid (ASA), commonly known as aspirin, are described. The new derivatives each have alkyl chains containing a nitric oxide (NO)-releasing nitrooxy group and a solubilizing moiety bonded to the benzoyl ring. The compounds were synthesized and evalua...

journal_title：ChemMedChem

authors： Rolando B,Lazzarato L,Donnola M,Marini E,Joseph S,Morini G,Pozzoli C,Fruttero R,Gasco A

更新日期：2013-07-01 00:00:00

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