abstract：:A small molecule library of pyrido[2,3-d]pyrimidine-2,4-dione derivatives 6-16 was synthesized from 6-amino-1,3-disubstituted uracils 18, characterized, and screened for inhibitory activity against eukaryotic elongation factor-2 kinase (eEF-2K). To understand the binding pocket of eEF-2K, structural modifications of t...

journal_title：Bioorganic & medicinal chemistry

authors： Edupuganti R,Wang Q,Tavares CD,Chitjian CA,Bachman JL,Ren P,Anslyn EV,Dalby KN

更新日期：2014-09-01 00:00:00

abstract：:There is strong evidence to indicate that a positively charged nitrogen of endogenous and exogenous opioid ligands forms a salt bridge with the Asp residue in the third transmembrane helix of opioid receptors. To further examine the role of this electrostatic interaction in opioid receptor binding and activation, we s...

journal_title：Bioorganic & medicinal chemistry

authors： Weltrowska G,Lemieux C,Chung NN,Guo JJ,Wilkes BC,Schiller PW

更新日期：2014-09-01 00:00:00

abstract：:Human polyoma- and papillomaviruses are non-enveloped DNA viruses that cause severe pathologies and mortalities. Under circumstances of immunosuppression, JC polyomavirus causes a fatal demyelinating disease called progressive multifocal leukoencephalopathy (PML) and the BK polyomavirus is the etiological agent of pol...

journal_title：Bioorganic & medicinal chemistry

authors： Carney DW,Nelson CD,Ferris BD,Stevens JP,Lipovsky A,Kazakov T,DiMaio D,Atwood WJ,Sello JK

更新日期：2014-09-01 00:00:00

abstract：:γ-Aminobutyric acid (GABA) receptors are important targets of parasiticides/insecticides. Several 4-substituted analogs of the partial GABAA receptor agonist 5-(4-piperidyl)-3-isothiazolol (Thio-4-PIOL) were synthesized and examined for their antagonism of insect GABA receptors expressed in Drosophila S2 cells or Xeno...

journal_title：Bioorganic & medicinal chemistry

authors： Liu G,Furuta K,Nakajima H,Ozoe F,Ozoe Y

更新日期：2014-09-01 00:00:00

abstract：:A series of 1,2,3-triazolylsalicylamide derivatives has been developed from the antiproliferative agent 7 and was evaluated for their Aurora kinase inhibitory activity. The novel 1,2,3-triazolylsalicylamide scaffold could be readily assembled by Cu(I)-catalyzed azide-alkyne 1,3-dipolar cycloaddition, allowing rapid ac...

journal_title：Bioorganic & medicinal chemistry

authors： Song D,Park Y,Yoon J,Aman W,Hah JM,Ryu JS

更新日期：2014-09-01 00:00:00

abstract：:In our ongoing program aimed at deeply investigating the endocannabinoid system (ES), a set of new alkyl-resorcinol derivatives was prepared focusing on the nature and the importance of the carboxamide functionality. Binding studies on CB1 and CB2 receptors, monoacylglycerol lipase (MAGL) and fatty acid amide hydrolas...

journal_title：Bioorganic & medicinal chemistry

authors： Brizzi A,Aiello F,Marini P,Cascio MG,Corelli F,Brizzi V,De Petrocellis L,Ligresti A,Luongo L,Lamponi S,Maione S,Pertwee RG,Di Marzo V

更新日期：2014-09-01 00:00:00

abstract：:Chemical investigation of the organic extract obtained from the sponge Plakortis simplex collected in the South China Sea afforded five new polyketide endoperoxides (2 and 4-7), along with two known analogues (1 and 3). The stereostructures of these metabolites have been deduced on the basis of spectroscopic analysis ...

journal_title：Bioorganic & medicinal chemistry

authors： Chianese G,Persico M,Yang F,Lin HW,Guo YW,Basilico N,Parapini S,Taramelli D,Taglialatela-Scafati O,Fattorusso C

更新日期：2014-09-01 00:00:00

abstract：:The photoeffect of new proflavine derivatives with DNA-binding and antitumour activities, 3,6-bis((1-alkyl-5-oxo-imidazolidin-2-yliden)imino)acridine hydrochlorides (AcrDIMs), was studied to evaluate them as potential photosensitizers for photodynamic antitumor therapy. EPR measurements showed that superoxide radical ...

journal_title：Bioorganic & medicinal chemistry

authors： Cižeková L,Grolmusová A,Ipóthová Z,Barbieriková Z,Brezová V,Hunáková L,Imrich J,Janovec L,Dovinová I,Paulíková H

更新日期：2014-09-01 00:00:00

abstract：:Sensing technologies based on Peptide Nucleic Acids (PNAs) and oligonucleotide-templated chemistry are perfectly suited for biomedical applications (e.g., diagnosis, prognosis and stratification of diseases) and could compete well with more traditional amplification technologies using expensive dual-labelled oligonucl...

journal_title：Bioorganic & medicinal chemistry

authors： Choi Y,Metcalf G,Sleiman MH,Vair-Turnbull D,Ladame S

更新日期：2014-08-15 00:00:00

abstract：:A series of structurally related citric acid-ciprofloxacin conjugates was synthesised to investigate the influence of the linker between citric acid and ciprofloxacin on antibacterial activities. Minimum inhibitory concentrations (MICs) were determined against a panel of reference strains and clinical isolates of bact...

journal_title：Bioorganic & medicinal chemistry

authors： Milner SJ,Snelling AM,Kerr KG,Abd-El-Aziz A,Thomas GH,Hubbard RE,Routledge A,Duhme-Klair AK

更新日期：2014-08-15 00:00:00

abstract：:An azide-functionalised analogue of the oxazolidinone antibiotic linezolid was synthesised and shown to retain antimicrobial activity. Using facile 'click' chemistry, this versatile intermediate can be further functionalised to explore antimicrobial structure-activity relationships or conjugated to fluorophores to gen...

journal_title：Bioorganic & medicinal chemistry

authors： Phetsang W,Blaskovich MA,Butler MS,Huang JX,Zuegg J,Mamidyala SK,Ramu S,Kavanagh AM,Cooper MA

更新日期：2014-08-15 00:00:00

abstract：:Natural product inspired compound collections are prevalidated due to the evolutionary selection of the natural product scaffolds. Their synthesis requires the development of novel strategies amenable to formats suitable for library build-up. We describe a method for the synthesis of an oxepane library inspired by the...

journal_title：Bioorganic & medicinal chemistry

authors： Basu S,Waldmann H

更新日期：2014-08-15 00:00:00

abstract：:Benzoxaboroles have garnered much attention in recent years due to their diverse applications in bio-sensing technology, material science, and therapeutic intervention. Part of the reason arises from the benzoxaboroles' unique chemical properties, especially in comparison to their acyclic boronic acid counterparts. Fu...

journal_title：Bioorganic & medicinal chemistry

authors： Liu CT,Tomsho JW,Benkovic SJ

更新日期：2014-08-15 00:00:00

abstract：:Small molecules are central players in chemical biology studies. They promote the perturbation of cellular processes underlying diseases and enable the identification of biological targets that can be validated for therapeutic intervention. Small molecules have been shown to accurately tune a single function of plurip...

journal_title：Bioorganic & medicinal chemistry

authors： Abet V,Mariani A,Truscott FR,Britton S,Rodriguez R

更新日期：2014-08-15 00:00:00

abstract：:In radiation therapy, adverse side effects are often induced due to the excessive cell death that occurs in radiosensitive normal cells. The radiation-induced cell death of normal cells is caused, at least in part, by apoptosis, which undergoes via activation of p53 and increase in the p53 protein, a zinc-containing t...

journal_title：Bioorganic & medicinal chemistry

authors： Ariyasu S,Sawa A,Morita A,Hanaya K,Hoshi M,Takahashi I,Wang B,Aoki S

更新日期：2014-08-01 00:00:00

abstract：:Enzymes catalyzing the biosynthesis of bacterial peptidoglycan represent traditionally a collection of highly selective targets for novel antibacterial drug design. Four members of the bacterial Mur ligase family-MurC, MurD, MurE and MurF-are involved in the intracellular steps of peptidoglycan biosynthesis, catalyzin...

journal_title：Bioorganic & medicinal chemistry

authors： Perdih A,Hrast M,Barreteau H,Gobec S,Wolber G,Solmajer T

更新日期：2014-08-01 00:00:00

abstract：:We report herein the synthesis and structure-activity relationships (SAR) of a series of benzyl ether compounds as an S1P₁ receptor modulator. From our SAR studies, the installation of substituents onto the central benzene ring of 2a was revealed to potently influence the S1P₁ and S1P₃ agonistic activities, in particu...

journal_title：Bioorganic & medicinal chemistry

authors： Tsuji T,Suzuki K,Nakamura T,Goto T,Sekiguchi Y,Ikeda T,Fukuda T,Takemoto T,Mizuno Y,Kimura T,Kawase Y,Nara F,Kagari T,Shimozato T,Yahara C,Inaba S,Honda T,Izumi T,Tamura M,Nishi T

更新日期：2014-08-01 00:00:00

abstract：:The efficient synthesis of a new series of polyhydroxylated dibenzyl ω-(1H-1,2,3-triazol-1-yl)alkylphosphonates as acyclic nucleotide analogues is described starting from dibenzyl ω-azido(polyhydroxy)alkylphosphonates and selected alkynes under microwave irradiation. Selected O,O-dibenzylphosphonate acyclonucleotides ...

journal_title：Bioorganic & medicinal chemistry

authors： Głowacka IE,Balzarini J,Andrei G,Snoeck R,Schols D,Piotrowska DG

更新日期：2014-07-15 00:00:00

abstract：:A series of novel pyrroles, pyrrolopyrimidines, pyrazolopyrrolopyrimidine, triazolopyrrolopyrimidines, tetrazolopyrrolopyrimidine, triazinopyrrolopyrimidines and pyrrolopyrimidotriazepines bearing the biologically active benzenesulfonamide moiety were synthesized by using pyrrole-o-amino-carbonitrile as key intermedia...

journal_title：Bioorganic & medicinal chemistry

authors： Ghorab MM,Alsaid MS,Ceruso M,Nissan YM,Supuran CT

更新日期：2014-07-15 00:00:00

abstract：:A series of novel 1-methyl-3-substituted quinazoline-2,4-dione derivatives were designed, synthesized, and characterized by (1)H NMR, (13)C NMR and MS spectral data. Their inhibition against chitin synthase (CHS) and antifungal activities were evaluated in vitro. Results showed compounds 5b, 5c, 5e, 5f, 5j, 5k, 5l, an...

journal_title：Bioorganic & medicinal chemistry

authors： Ji Q,Yang D,Wang X,Chen C,Deng Q,Ge Z,Yuan L,Yang X,Liao F

更新日期：2014-07-01 00:00:00

abstract：:Platinum-based drugs have been used for several decades to treat various cancers successfully. Cisplatin is the original compound in this class; it cross-links DNA, resulting in cell cycle arrest and cell death via apoptosis. Cisplatin is effective against several tumor types but exhibits toxic side effects; in additi...

journal_title：Bioorganic & medicinal chemistry

authors： Berger G,Leclercqz H,Derenne A,Gelbcke M,Goormaghtigh E,Nève J,Mathieu V,Dufrasne F

更新日期：2014-07-01 00:00:00

abstract：:The development of remedies against the Alzheimer's disease (AD) is one of the biggest challenges in medicinal chemistry nowadays. Although not completely understood, there are several strategies fighting this disease or at least bringing some relief. During the progress of AD, the level of acetylcholine (ACh) decreas...

journal_title：Bioorganic & medicinal chemistry

authors： Schwarz S,Lucas SD,Sommerwerk S,Csuk R

更新日期：2014-07-01 00:00:00

abstract：:The dopamine D4 receptor has been shown to play key roles in certain CNS pathologies including addiction to cigarette smoking. Thus, selective D4 ligands may be useful in treating some of these conditions. Previous studies in our laboratory have indicated that the piperazine analog of haloperidol exhibits selective an...

journal_title：Bioorganic & medicinal chemistry

authors： Sampson D,Zhu XY,Eyunni SV,Etukala JR,Ofori E,Bricker B,Lamango NS,Setola V,Roth BL,Ablordeppey SY

更新日期：2014-06-15 00:00:00

abstract：:Structure-activity relationships of 2-alkynyladenine derivatives were explored by varying substituents at the 9-, 8- and 2-positions of the purine moiety in order to optimize A2A adenosine receptor antagonist activity in vitro. A propargyl group at the 9-position was found to be important for A2A antagonist activity, ...

journal_title：Bioorganic & medicinal chemistry

authors： Endo K,Deguchi K,Matsunaga H,Tomaya K,Yamada K

更新日期：2014-06-15 00:00:00

abstract：:Even number fatty acid residues-docosanoyl (behenoyl) and stearoyl were selected for introduction to the N(4)-position of (S)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine) (HPMPC, cidofovir), and its 5-azacytosine counterpart, (S)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine) (HPMP-5-azaC) with the aim to prep...

journal_title：Bioorganic & medicinal chemistry

authors： Krečmerová M,Pohl R,Masojídková M,Balzarini J,Snoeck R,Andrei G

更新日期：2014-05-15 00:00:00

abstract：:A series of bis-quaternary pyridinium derivatives 3a-3i of 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide (2) have been synthesized. The synthesized pyridinium compounds have an amide group in conjugation to the oxime moiety. These compounds were evaluated in vitro for their reactivation efficacy against organophosphorus ...

journal_title：Bioorganic & medicinal chemistry

authors： Karade HN,Valiveti AK,Acharya J,Kaushik MP

更新日期：2014-05-01 00:00:00

abstract：:The effects of additional substituents covering the prime-site of retro-inverso (RI)-modified HTLV-1 protease inhibitors containing a hydroxyethylamine isoster were clarified. Stereo-selective construction of the most potent isoster backbone was achieved by the Evans-aldol reaction. Addition of N-acetylated d-amino ac...

journal_title：Bioorganic & medicinal chemistry

authors： Awahara C,Tatsumi T,Furuta S,Shinjoh G,Konno H,Nosaka K,Kobayashi K,Hattori Y,Akaji K

更新日期：2014-04-15 00:00:00

abstract：:Soluble epoxide hydrolase (sEH) is a component of the arachidonic acid cascade and is a candidate target for therapies for hypertension or inflammation. Although many sEH inhibitors are available, their scaffolds are not structurally diverse, and knowledge of their specific interactions with sEH is limited. To obtain ...

journal_title：Bioorganic & medicinal chemistry

authors： Amano Y,Yamaguchi T,Tanabe E

更新日期：2014-04-15 00:00:00

abstract：:A series of new hexadentate and pentadentate chelators were designed and synthesized as chelators of (64)Cu. The new pentadentate and hexadentate chelators contain different types of donor groups and are expected to form neutral complexes with Cu(II). The new chelators were evaluated for complex kinetics and stability...

journal_title：Bioorganic & medicinal chemistry

authors： Sin I,Kang CS,Bandara N,Sun X,Zhong Y,Rogers BE,Chong HS

更新日期：2014-04-15 00:00:00

abstract：:A new series of pyrano chalcone derivatives containing indole moiety (3-42, 49a-49r) were synthesized and evaluated for their antiproliferative activities. Among all the compounds, compound 49b with a propionyloxy group at the 4-position of the left phenyl ring and N-methyl-5-indoly on the right ring displayed the mos...

journal_title：Bioorganic & medicinal chemistry

authors： Wang G,Li C,He L,Lei K,Wang F,Pu Y,Yang Z,Cao D,Ma L,Chen J,Sang Y,Liang X,Xiang M,Peng A,Wei Y,Chen L

更新日期：2014-04-01 00:00:00

abstract：:The trans-2,3-disubstituted piperidine, quinazolinone-containing natural product febrifugine (also known as dichroine B) and its synthetic analogue, halofuginone, possess antimalarial activity. More recently studies have also shown that halofuginone acts as an agent capable of reducing fibrosis, an indication with cli...

journal_title：Bioorganic & medicinal chemistry

authors： McLaughlin NP,Evans P,Pines M

更新日期：2014-04-01 00:00:00

abstract：:Influenza is a continuing world-wide public health problem that causes significant morbidity and mortality during seasonal epidemics and sporadic pandemics. The purpose of the study was synthesis and investigation of antiviral activity of camphor-based symmetric diimines and diamines. A set of C2-symmetric nitrogen-co...

journal_title：Bioorganic & medicinal chemistry

authors： Sokolova AS,Yarovaya OC,Korchagina DV,Zarubaev VV,Tretiak TS,Anfimov PM,Kiselev OI,Salakhutdinov NF

更新日期：2014-04-01 00:00:00

abstract：:A number of isosteres (oxadiazoles, thiadiazoles, tetrazoles and diazines) of benzocaine were prepared and evaluated for their capacity to induce methemoglobinemia-with a view to their possible application as humane pest control agents. It was found that an optimal lipophilicity for the formation of methemoglobin (met...

journal_title：Bioorganic & medicinal chemistry

authors： Conole D,Beck TM,Jay-Smith M,Tingle MD,Eason CT,Brimble MA,Rennison D

更新日期：2014-04-01 00:00:00

abstract：:Studies have demonstrated the presence of allosteric binding sites on each of the muscarinic acetylcholine receptor (mAChR) subtypes. Since most drugs targeting muscarinic receptors bind to the highly conserved orthosteric binding site, they fail to achieve appreciable subtype selectivity. Targeting non-conserved allo...

journal_title：Bioorganic & medicinal chemistry

authors： Maheshwari A,Rao PS,Messer WS Jr

更新日期：2014-03-15 00:00:00

abstract：:We have selectively synthesized by Pictet-Spengler condensation of tryptophan and pyridoxal the four stereoisomers of a pyridoxal β-carboline derivative that was designed to inhibit the proliferation of Plasmodium falciparum. Biological investigation of the four compounds revealed that they all inhibit the growth of P...

journal_title：Bioorganic & medicinal chemistry

authors： Brokamp R,Bergmann B,Müller IB,Bienz S

更新日期：2014-03-15 00:00:00

abstract：:Here we describe the design, synthesis, and pharmacological evaluation of a set of compounds structurally related to the high affinity serotonin 5-HT7 receptor agonist N-(4-cyanophenylmethyl)-4-(2-diphenyl)-1-piperazinehexanamide (6, LP-211). Specific structural modifications were performed in order to maintain affini...

journal_title：Bioorganic & medicinal chemistry

authors： Lacivita E,Niso M,Hansen HD,Di Pilato P,Herth MM,Lehel S,Ettrup A,Montenegro L,Perrone R,Berardi F,Colabufo NA,Leopoldo M,Knudsen GM

更新日期：2014-03-01 00:00:00

abstract：:We investigated the catalytic activity and inhibition of the β-class carbonic anhydrase (CA, EC 4.2.1.1) CahB1, from the relict cyanobacterium Coleofasciculus chthonoplastes (previously denominated Microcoleus chthonoplastes). The enzyme showed good activity as a catalyst for the CO2 hydration, with a kcat of 2.4 × 10...

journal_title：Bioorganic & medicinal chemistry

authors： Vullo D,Kupriyanova EV,Scozzafava A,Capasso C,Supuran CT

更新日期：2014-03-01 00:00:00

abstract：:1,2,3-Triazole-, arylamino- and thio-substituted naphthoquinones (24, 8, and 2 representatives, respectively) were synthesized in moderate yields and evaluated against several human cancer cell lines (blood, ovarian, breast, central nervous system, colon, and prostate cancers and melanoma), showing, for some of them, ...

journal_title：Bioorganic & medicinal chemistry

authors： da Cruz EH,Hussene CM,Dias GG,Diogo EB,de Melo IM,Rodrigues BL,da Silva MG,Valença WO,Camara CA,de Oliveira RN,de Paiva YG,Goulart MO,Cavalcanti BC,Pessoa C,da Silva Júnior EN

更新日期：2014-03-01 00:00:00

abstract：:All eight stereoisomers of saxagliptin have been synthesized and evaluated for their inhibitory activity against DPP-IV. It was unambiguously confirmed that the configuration of saxagliptin was critical to potent inhibition of DPP-IV. Docking study was performed to elucidate the configuration-activity relationship of ...

journal_title：Bioorganic & medicinal chemistry

authors： Dong J,Gong Y,Liu J,Chen X,Wen X,Sun H

更新日期：2014-02-15 00:00:00

abstract：:Protein citrullination is just one of more than 200 known PTMs. This modification, catalyzed by the protein arginine deiminases (PADs 1-4 and PAD6 in humans), converts the positively charged guanidinium group of an arginine residue into a neutral ureido-group. Given the strong links between dysregulated PAD activity a...

journal_title：Bioorganic & medicinal chemistry

authors： Dreyton CJ,Anderson ED,Subramanian V,Boger DL,Thompson PR

更新日期：2014-02-15 00:00:00