On the topological evidences for modelling lipophilicity.

abstract：:A series of 2-phenyl quinoline-4-carboxylic acid derivatives related to brequinar, an inhibitor of human dihydroorotate dehydrogenase (DHODH), has been prepared and evaluated as inhibitors of DHODH from the malaria parasite Plasmodium falciparum. Brequinar was essentially inactive against PfDHODH (IC(50) 880 microM) w...

journal_title：Bioorganic & medicinal chemistry

authors： Boa AN,Canavan SP,Hirst PR,Ramsey C,Stead AM,McConkey GA

更新日期：2005-03-15 00:00:00

abstract：:Opioid compounds with mixed micro agonist/delta antagonist properties could be used as analgesics with low propensity to induce tolerance and dependence. Here we report the synthesis of a new designed multiple ligand deriving from the micro selective agonist endomorphin-2 and the delta selective antagonist pharmacopho...

journal_title：Bioorganic & medicinal chemistry

authors： Salvadori S,Trapella C,Fiorini S,Negri L,Lattanzi R,Bryant SD,Jinsmaa Y,Lazarus LH,Balboni G

更新日期：2007-11-15 00:00:00

abstract：:The major structural component of the mycobacterial cell wall, the mycolyl-arabinogalactan-peptidoglycan complex, possesses a galactan core composed of approximately 30 galactofuranosyl (Galf) resides attached via alternating beta-(1-->6) and beta-(1-->5) linkages. Recent studies have shown that the entire galactan is...

journal_title：Bioorganic & medicinal chemistry

authors： Szczepina MG,Zheng RB,Completo GC,Lowary TL,Pinto BM

更新日期：2010-07-15 00:00:00

abstract：:The viroporin p7 of the hepatitis C virus forms multimeric channels eligible for ion transport across the endoplasmic reticulum membrane. Currently the subject of many studies and discussion, the molecular assembly of the ion channel and the structural characteristics of the p7 monomer are not yet fully understood. St...

journal_title：Bioorganic & medicinal chemistry

authors： Holzmann N,Chipot C,Penin F,Dehez F

更新日期：2016-10-15 00:00:00

abstract：:In the course of our studies of hydrophobic oxytocin (OT) analogues, we newly synthesized lipidated OT (LOT-4a-c and LOT-5a-c), in which a long alkyl chain (C14-C16) is conjugated via a carbonate or carbamate linkage at the Tyr-2 phenolic hydroxy group and a palmitoyl group at the terminal amino group of Cys-1. These ...

journal_title：Bioorganic & medicinal chemistry

authors： Cherepanov SM,Miura R,Shabalova AA,Ichinose W,Yokoyama S,Fukuda H,Watanabe M,Higashida H,Shuto S

更新日期：2019-08-01 00:00:00

abstract：:Multidrug-resistant bacterial infections continue to be a rising global health concern. Herein is described the development of a class of novel 2-aminobenzimidazoles with antibiotic activity. These active 2-aminobenzimidazoles retain their antibiotic activity against several strains of multidrug-resistant Staphylococc...

journal_title：Bioorganic & medicinal chemistry

authors： Huigens RW 3rd,Reyes S,Reed CS,Bunders C,Rogers SA,Steinhauer AT,Melander C

更新日期：2010-01-15 00:00:00

abstract：:A bioassay-guided fractionation and chemical examination of antihyperglycemic root extract of Derris indica resulted in isolation and characterization of two new furanoflavanoids (1, 2) along with thirteen known compounds (3-15). Their structures were determined on the basis of extensive spectroscopic (IR, MS, 1D and ...

journal_title：Bioorganic & medicinal chemistry

authors： Ranga Rao R,Tiwari AK,Prabhakar Reddy P,Suresh Babu K,Ali AZ,Madhusudana K,Madhusudana Rao J

更新日期：2009-07-15 00:00:00

abstract：:A series of hydroxycarbazole derivatives were synthesized and evaluated for PPAR alpha/gamma dual agonist as well as antioxidant activities. While most compounds showed good antioxidant activity, some compounds were identified as potential PPAR alpha/gamma dual agonists as well. Compounds 10a and 16 were found to be a...

journal_title：Bioorganic & medicinal chemistry

authors： Kumar R,Ramachandran U,Srinivasan K,Ramarao P,Raichur S,Chakrabarti R

更新日期：2005-07-01 00:00:00

abstract：:The preserved fungal species Antrodia camphorata has diverse health-promoting effects and has been popularly used in East Asia as a traditional herb. We isolated a volatile compound from the culture medium of A. camphorata and identified it as gamma-dodecalactone (gamma-DDL). Cytomic screening for immune-modulating ac...

journal_title：Bioorganic & medicinal chemistry

authors： Chen CJ,Vijaya Krishna R,Tsai CC,Wu WH,Chao LK,Hwang KH,Chien CM,Chang HY,Chen ST

更新日期：2010-09-15 00:00:00

abstract：:A series of novel 6-methylene-bridged uracil derivatives have been optimized for clinical use as the inhibitors of human thymidine phosphorylase (TP). We describe their synthesis and evaluation. Introduction of a guanidino or an amidino group enhanced the in vitro inhibitory activity of TP comparing with formerly repo...

journal_title：Bioorganic & medicinal chemistry

authors： Yano S,Kazuno H,Sato T,Suzuki N,Emura T,Wierzba K,Yamashita J,Tada Y,Yamada Y,Fukushima M,Asao T

更新日期：2004-07-01 00:00:00

abstract：:A chemoenzymatic glycosylation remodeling method for the synthesis of selectively fluorinated glycoproteins is described. The method consists of chemical synthesis of a fluoroglycan oxazoline and its use as donor substrate for endoglycosidase (ENGase)-catalyzed transglycosylation to a GlcNAc-protein to form a homogene...

journal_title：Bioorganic & medicinal chemistry

authors： Orwenyo J,Huang W,Wang LX

更新日期：2013-08-15 00:00:00

abstract：:In order to improve the discovery and development of new drugs, a broad effort is being made to assess the 'drug-like' properties of molecules in early stages of the discovery-research process. Although there are numerous approaches to this problem, perhaps the simplest and most widespread one is that developed by Chr...

journal_title：Bioorganic & medicinal chemistry

authors： Petit J,Meurice N,Kaiser C,Maggiora G

更新日期：2012-09-15 00:00:00

abstract：:A series of novel cinnamic acid secnidazole ester derivatives have been designed and synthesized, and their biological activities were also evaluated as potential inhibitors of FabH. These compounds were assayed for antibacterial activity against Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis and Staphylo...

journal_title：Bioorganic & medicinal chemistry

authors： Zhang HJ,Zhu DD,Li ZL,Sun J,Zhu HL

更新日期：2011-08-01 00:00:00

abstract：:A series of benzazolone compounds were synthesized utilizing benzoxazolinonic and benzothiazolinonic heterocycles as the building unit. The antioxidant activity of these compounds was determined by inhibition of lipid peroxidation. The oxidation of LDL was induced in the presence of CuSO(4) or 2,2'-azobis(2-amidinopro...

journal_title：Bioorganic & medicinal chemistry

authors： Yekini I,Hammoudi F,Martin-Nizard F,Yous S,Lebegue N,Berthelot P,Carato P

更新日期：2009-11-15 00:00:00

abstract：:We previously reported a series of 8-methyl-2-aryl-5-alkylaminoquinolines as a novel class of corticotropin-releasing factor-1 (CRF(1)) receptor antagonists. A critical issue encountered for this series of compounds was low aqueous solubility at physiological pH (pH 7.4). To address this issue, derivatization at key s...

journal_title：Bioorganic & medicinal chemistry

authors： Takeda K,Terauchi T,Hashizume M,Shikata K,Taguchi R,Murata-Tai K,Fujisawa M,Takahashi Y,Shin K,Ino M,Shibata H,Yonaga M

更新日期：2012-11-15 00:00:00

abstract：:We have synthesized several conformationally constrained dipeptide analogues as possible substrates for incorporation into proteins. These have included three cyclic dipeptides formed from Boc derivatives of 2,4-diaminobutyric acid, ornithine and lysine, having 5-, 6-, and 7-membered lactam rings, respectively. These ...

journal_title：Bioorganic & medicinal chemistry

authors： Zhang C,Bai X,Dedkova LM,Hecht SM

更新日期：2020-09-23 00:00:00

abstract：:We describe the development of a computational model for the prediction of the inhibition of K(+) flow through the hERG ion channel. Using a collection of 1075 discovery compounds with hERG inhibition measured in our standard patch-clamp electrophysiology assay, molecular features important for drug-induced inhibition...

journal_title：Bioorganic & medicinal chemistry

authors： Johnson SR,Yue H,Conder ML,Shi H,Doweyko AM,Lloyd J,Levesque P

更新日期：2007-09-15 00:00:00

abstract：:Mycobacterium tuberculosis glutamate racemase is an essential enzyme involved in peptidoglycan synthesis and conserved in most bacteria. Small molecule inhibitors were reported on other bacterial species whereas in M. tuberculosis it wasn't explored much. In this study we have screened in house compound library using ...

journal_title：Bioorganic & medicinal chemistry

authors： Malapati P,Siva Krishna V,Nallangi R,Meda N,Reshma Srilakshmi R,Sriram D

更新日期：2018-01-01 00:00:00

abstract：:Based on an established 3D pharmacophore, a series of quinoline derivatives were synthesized. The opioidergic properties of these compounds were determined by a competitive binding assay using (125)I-Dynorphine, (3)H-DAMGO and (125)I-DADLE for kappa, mu, and delta receptors, respectively. Results showed varying degree...

journal_title：Bioorganic & medicinal chemistry

authors： Deb I,Paira P,Hazra A,Banerjee S,Dutta PK,Mondal NB,Das S

更新日期：2009-08-15 00:00:00

abstract：:Previously, bioassay-guided separation led us to isolate eleven novel steroidal alkaloids named cortistatins from the marine sponge Corticium simplex. These cortistatins were classified into three types based on the chemical structure of the side chain part, that is, isoquinoline, N-methyl piperidine or 3-methylpyridi...

journal_title：Bioorganic & medicinal chemistry

authors： Aoki S,Watanabe Y,Tanabe D,Arai M,Suna H,Miyamoto K,Tsujibo H,Tsujikawa K,Yamamoto H,Kobayashi M

更新日期：2007-11-01 00:00:00

abstract：:The outcomes of breast cancer patients are still poor although new compounds have recently been introduced into the clinic. Therefore, novel chemical approaches are required. In the present study, palladium(II) and corresponding platinum(II) complexes containing bis(2-pyridylmethyl)amine (bpma) and saccharine were syn...

journal_title：Bioorganic & medicinal chemistry

authors： Ari F,Ulukaya E,Sarimahmut M,Yilmaz VT

更新日期：2013-06-01 00:00:00

abstract：:To improve the in vitro potency of the c-Src inhibitor 1a and to address its hERG liability, a structure-activity study was carried out, focusing on two regions of the lead compound. The blockade of the delayed cardiac current rectifier K(+) (I(Kr)) channel was overcome by replacing the ethylenediamino group with an a...

journal_title：Bioorganic & medicinal chemistry

authors： Mukaiyama H,Nishimura T,Kobayashi S,Komatsu Y,Kikuchi S,Ozawa T,Kamada N,Ohnota H

更新日期：2008-01-15 00:00:00

abstract：:A novel series of substituted imidazol-5-ones were designed, synthesized and evaluated for in vitro reverse transcriptase (RT) inhibition activity using reverse transcriptase assay kit (Roche, Colorimetric). It has been observed from in vitro screening that newly synthesized compounds possess RT inhibitory activity. D...

journal_title：Bioorganic & medicinal chemistry

authors： Mokale SN,Lokwani D,Shinde DB

更新日期：2012-05-01 00:00:00

abstract：:Analogs of the antibiotic fosmidomycin, an inhibitor of the methylerythritol phosphate pathway to isoprenoids, were synthesized and evaluated against the recombinant Synechocystis sp. PCC6803 1-deoxy-d-xylulose 5-phosphate reductoisomerase (DXR). Fosfoxacin, the phosphate analog of fosmidomycin, and its acetyl congene...

journal_title：Bioorganic & medicinal chemistry

authors： Woo YH,Fernandes RP,Proteau PJ

更新日期：2006-04-01 00:00:00

abstract：:A nuclear factor-κB (NF-κB) luciferase assay has been employed to identify the bengamides, previously known for their anti-tumor activity, as a new class of immune modulators. A unique element of this study was that the bengamide analogs were isolated from two disparate sources, Myxococcus virescens (bacterium) and Ja...

journal_title：Bioorganic & medicinal chemistry

authors： Johnson TA,Sohn J,Vaske YM,White KN,Cohen TL,Vervoort HC,Tenney K,Valeriote FA,Bjeldanes LF,Crews P

更新日期：2012-07-15 00:00:00

abstract：:We report structure-activity investigations in a series of tripeptide amide inhibitors of thrombin, and the development of a series of highly potent active site directed alpha-keto carbonyl inhibitors having the side chain of lysine at P1. Compounds of this class are unstable by virtue of reactivity at the electrophil...

journal_title：Bioorganic & medicinal chemistry

authors： Brady SF,Sisko JT,Stauffer KJ,Colton CD,Qiu H,Lewis SD,Ng AS,Shafer JA,Bogusky MJ,Veber DF

更新日期：1995-08-01 00:00:00

abstract：:The present study reports on synthesis in high yields (70-99%), HPLC enantioseparation, inhibitory activity against human monoamino oxidases, and molecular modeling including 3D-QSAR studies, of a large series of (4-aryl-thiazol-2-yl)hydrazones (1-45). Most of the synthesized compounds proved to be potent and selectiv...

journal_title：Bioorganic & medicinal chemistry

authors： Chimenti F,Secci D,Bolasco A,Chimenti P,Granese A,Carradori S,Maccioni E,Cardia MC,Yáñez M,Orallo F,Alcaro S,Ortuso F,Cirilli R,Ferretti R,Distinto S,Kirchmair J,Langer T

更新日期：2010-07-15 00:00:00

abstract：:A group of (E)-3-(4-methanesulfonylphenyl)acrylic acids possessing a substituted-phenyl ring (4-H, 4-Br, 3-Br, 4-F, 4-OH, 4-OMe, 4-OAc, and 4-NHAc) attached to the acrylic acid C-2 position were prepared using a stereospecific Perkin condensation reaction. A related group of compounds having 4- and 3-(4-isopropyloxyph...

journal_title：Bioorganic & medicinal chemistry

authors： Moreau A,Chen QH,Praveen Rao PN,Knaus EE

更新日期：2006-12-01 00:00:00

abstract：:Several 11-substituted benzo[i]phenanthridine derivatives were synthesized, and their TOP1-targeting activity and cytotoxicity were assessed. Comparative data indicate that TOP1-targeting was often the primary molecular target associated with their cytotoxicity. Several 11-aminoalkyl derivatives, 11-aminocarboxy deriv...

journal_title：Bioorganic & medicinal chemistry

authors： Feng W,Satyanarayana M,Tsai YC,Liu AA,Liu LF,LaVoie EJ

更新日期：2008-09-15 00:00:00

abstract：:A structure-activity study on benzylpiperidine 1 was accomplished by utilizing high-throughput synthesis. Three focused libraries were designed and synthesized to quickly develop SAR. Further optimization led to the discovery of compound 2, an MCH receptor R1 antagonist with over 400-fold improvement in biological act...

journal_title：Bioorganic & medicinal chemistry

authors： Su J,McKittrick BA,Tang H,Czarniecki M,Greenlee WJ,Hawes BE,O'Neill K

更新日期：2005-03-01 00:00:00