Discovery of new dual binding TNKS inhibitors of Wnt signaling inhibition by pharmacophore modeling, molecular docking and bioassay.

abstract：:Celastrol, isolated from the traditional Chinese medicinal herb Tripterygium wilfordii Hook. f. (Thunder God's Vine), has been used to treat cancer, chronic inflammatory, autoimmune and other human diseases. However, to date, the protein targets and the mechanism of action of celastrol have remained elusive. In this s...

journal_title：Molecular bioSystems

authors： Zhou Y,Li W,Wang M,Zhang X,Zhang H,Tong X,Xiao Y

更新日期：2016-12-20 00:00:00

abstract：:The multidrug resistance (MDR) system actively pumps antibiotics out of cells causing serious health problems. During the pumping, AcrB (one of the key components of MDR) undergoes a series of large-scale and proton-motive conformational changes. Capturing the conformational changes through all-atom simulations is cha...

journal_title：Molecular bioSystems

authors： Jewel Y,Liu J,Dutta P

更新日期：2017-09-26 00:00:00

abstract：:The effect of the glutathione transferase P1-1 (GSTP1-1) targeting has been investigated in both sensitive (U-2OS) and cisplatin-resistant (U-2OS/CDDP4 μg) human osteosarcoma cell lines. Despite the different enzyme's content, inhibition of GSTP1-1 by 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) causes the...

journal_title：Molecular bioSystems

authors： Sau A,Filomeni G,Pezzola S,D'Aguanno S,Tregno FP,Urbani A,Serra M,Pasello M,Picci P,Federici G,Caccuri AM

更新日期：2012-04-01 00:00:00

abstract：:Sponge metagenomes are accessible genetic sources containing genes and gene clusters responsible for the biosynthesis of sponge-derived bioactive natural products. In this study, we obtained the clone pDC112, producing turbomycin A and 2,2-di(3-indolyl)-3-indolone, based on the functional screening of the metagenome l...

journal_title：Molecular bioSystems

authors： Takeshige Y,Egami Y,Wakimoto T,Abe I

更新日期：2015-05-01 00:00:00

abstract：:Remineralization of organic matter in deep-sea sediments is important in oceanic biogeochemical cycles, and bacteria play a major role in this process. Shewanella violacea DSS12 is a psychrophilic and piezophilic gamma-proteobacterium that was isolated from the surface layer of deep sea sediment at a depth of 5110 m. ...

journal_title：Molecular bioSystems

authors： Aono E,Baba T,Ara T,Nishi T,Nakamichi T,Inamoto E,Toyonaga H,Hasegawa M,Takai Y,Okumura Y,Baba M,Tomita M,Kato C,Oshima T,Nakasone K,Mori H

更新日期：2010-07-01 00:00:00

abstract：:The emergence of drug resistant strains of Mycobacterium Tuberculosis (Mtb) accentuates the urgent need for the development of novel antitubercular drugs. The major causes of drug resistance are genetic mutations, the influx-efflux transporter system, and the complex cell wall system of Mtb, which can function as perm...

journal_title：Molecular bioSystems

authors： Janardhan S,Ram Vivek M,Narahari Sastry G

更新日期：2016-10-18 00:00:00

abstract：:Type 2 diabetes mellitus (T2DM) is increased worldwide in parallel with the obesity epidemic. Potentilla discolor is one of the most important crude materials in Traditional Chinese medicine (TCM) for therapy of hyperglycemia and hyperlipidemia. In this work, a plasma metabonomic approach based on the combination of U...

journal_title：Molecular bioSystems

authors： Li Y,Li JJ,Wen XD,Pan R,He YS,Yang J

更新日期：2014-11-01 00:00:00

abstract：:Stochastic fluctuations (noise) in gene expression can cause members of otherwise genetically identical populations to display drastically different phenotypes. An understanding of the sources of noise and the strategies cells employ to function reliably despite noise is proving to be increasingly important in describ...

journal_title：Molecular bioSystems

authors： Tabor JJ,Bayer TS,Simpson ZB,Levy M,Ellington AD

更新日期：2008-07-01 00:00:00

abstract：:Genetic information in genomes is ordered, arranged in such a way that it constitutes a code, the so-called cis regulatory code. The regulatory machinery of the cell, termed trans-factors, decodes and expresses this information. In this way, genomes maintain a potential repertoire of genetic programs, parts of which a...

journal_title：Molecular bioSystems

authors： Rangel-Chavez C,Galan-Vasquez E,Martinez-Antonio A

更新日期：2017-03-28 00:00:00

abstract：:Experimental data from biological pathways come in many forms: qualitative or quantitative, static or dynamic. By combining a variety of these heterogeneous sources of data, we construct a mathematical model of a critical regulatory network in vertebrate development, the Sonic Hedgehog signaling pathway. The structure...

journal_title：Molecular bioSystems

authors： Boykin ER,Ogle WO

更新日期：2010-10-01 00:00:00

abstract：:We employed high-temperature classical molecular dynamics (MD) simulations to investigate the unfolding process of the wild-type (WT) and F508del-NBD1 domains of CFTR protein, with and without second-site mutations. To rationalize the in vitro behavior of F508del-NBD1, namely its lower folding yield and higher aggrega...

journal_title：Molecular bioSystems

authors： Estácio SG,Martiniano HF,Faísca PF

更新日期：2016-08-16 00:00:00

abstract：:Although angiotensin (Ang)II-induced Janus-activated kinase (JAK)2 phosphorylation was reported to be enhanced in failing human cardiomyocytes, the downstream balance between cardio-protective (signal transducer and activator of transcription-STAT3) and the pro-inflammatory (STAT2 and STAT5) response remains unexplore...

journal_title：Molecular bioSystems

authors： Cambi GE,Lucchese G,Djeokeng MM,Modesti A,Fiaschi T,Faggian G,Sani G,Modesti PA

更新日期：2012-09-01 00:00:00

abstract：:Information on extracellular signals and conditions is often transduced by biological systems using cascades of protein phosphorylation that affect the activity of enzymes, the localization of proteins and gene expression. A model to study signal transduction is the response of the yeast Saccharomyces cerevisiae to os...

journal_title：Molecular bioSystems

authors： Soufi B,Kelstrup CD,Stoehr G,Fröhlich F,Walther TC,Olsen JV

更新日期：2009-11-01 00:00:00

abstract：BACKGROUND:Candida albicans, the most common fungal pathogen related to colonization and biofilm formation on the surfaces of indwelling medical devices, shows high resistance to the most commonly used antifungal drugs. In this study, an ion-pairing chromatography-porous graphitic carbon column coupled with a time-of-f...

journal_title：Molecular bioSystems

authors： Chen X,Wu H,Cao Y,Yao X,Zhao L,Wang T,Yang Y,Lv D,Chai Y,Cao Y,Zhu Z

更新日期：2014-01-01 00:00:00

abstract：:Plant aquaporins belong to a large superfamily of conserved proteins called the major intrinsic proteins (MIPs). There is limited information about the diversity of MIPs and their water transport capacity in broccoli (Brassica oleracea) plants. In this study, the cDNAs of isoforms of Plasma Membrane Intrinsic Proteins...

journal_title：Molecular bioSystems

authors： Muries B,Faize M,Carvajal M,Martínez-Ballesta Mdel C

更新日期：2011-04-01 00:00:00

abstract：:Unstable angina (UA) is one of the most dangerous types of coronary heart disease and has high mortality and morbidity rates worldwide. However, the diagnostic accuracy for UA is unsatisfactory in clinical practice. In this study, we investigated the application of plasma metabolomics in discovering potential biomarke...

journal_title：Molecular bioSystems

authors： Sun M,Gao X,Zhang D,Ke C,Hou Y,Fan L,Zhang R,Liu H,Li K,Yu B

更新日期：2013-12-01 00:00:00

abstract：:A liquid chromatography coupled with mass spectrometry (LC/MS) based metabonomics approach was applied to characterize the aging of rats, and the anti-aging effect of total flavones of Epimedium (TFE), a traditional Chinese medicine, has also been investigated. Serum samples collected from 4, 10, 18 and 24 month-old r...

journal_title：Molecular bioSystems

authors： Yan S,Wu B,Lin Z,Jin H,Huang J,Yang Y,Zhang X,Shen Z,Zhang W

更新日期：2009-10-01 00:00:00

abstract：:In the last few decades a negative association between the level of milk production and fertility has been observed. Currently, the most utilized method of measuring male fertility employed by the livestock industry is related to the Non-Return Rate (NRR). Through differential proteome analysis, this study evaluated c...

journal_title：Molecular bioSystems

authors： Soggiu A,Piras C,Hussein HA,De Canio M,Gaviraghi A,Galli A,Urbani A,Bonizzi L,Roncada P

更新日期：2013-06-01 00:00:00

abstract：:Nitronyl nitroxides are capable of preventing cells, tissues, and organs from radical-induced damage through scavenging NO˙, ˙O(2)(-) and ˙OH. In order to explore the conversions of nitronyl nitroxides in biological systems with and without NO˙, HPLC-MS aided PC12 cell systems were developed, and the conversions of 2-...

journal_title：Molecular bioSystems

authors： Wang Y,Jiang X,Liu J,Zhao M,Kang G,Wu J,Peng L,Peng S

更新日期：2011-05-01 00:00:00

abstract：:Over the last few years important new insights into the process of long-range gene regulation have been obtained. Gene regulatory elements are found to engage in direct physical interactions with distant target genes and with loci on other chromosomes to modulate transcription. An overview of recently discovered long-...

journal_title：Molecular bioSystems

authors： Miele A,Dekker J

更新日期：2008-11-01 00:00:00

abstract：:Cycloserine (CS, 4-amino-3-isoxazolidone) is a cyclic amino acid mimic that is known to inhibit many essential pyridoxal 5'-phosphate (PLP)-dependent enzymes. Two CS enantiomers are known; D-cycloserine (DCS, also known as Seromycin) is a natural product that is used to treat resistant Mycobacterium tuberculosis infec...

journal_title：Molecular bioSystems

authors： Lowther J,Yard BA,Johnson KA,Carter LG,Bhat VT,Raman MC,Clarke DJ,Ramakers B,McMahon SA,Naismith JH,Campopiano DJ

更新日期：2010-09-01 00:00:00

abstract：:Thyroid carcinoma is a common endocrine malignancy worldwide, accounting for approximately 1% of all diagnosed cancers and about 91.5% of the malignancies of head and neck. However, differentiating malignant thyroid nodules from benign ones remains a diagnostic challenge. Thus, novel molecular markers that enable non-...

journal_title：Molecular bioSystems

authors： Yao Z,Yin P,Su D,Peng Z,Zhou L,Ma L,Guo W,Ma L,Xu G,Shi J,Jiao B

更新日期：2011-09-01 00:00:00

abstract：:The molecular segmentation clock is a complex regulatory network that governs the periodic somite segmentation in vertebrate embryos. Underlying the rhythm of the segmentation clock is a single-cell level pace-making circuit, where inevitable molecular noise and time delay impose normal operating constraints to the pa...

journal_title：Molecular bioSystems

authors： Song H,Yuan Z,Zhou T

更新日期：2013-06-01 00:00:00

abstract：:Cystic fibrosis (CF) is an autosomal recessive disorder associated with mutations of the cystic fibrosis transmembrane conductance regulator (CFTR) gene and defective chloride transport across the epithelial cell membranes. Abnormal epithelial ion transport is the primary cause of persistent airway infections and chro...

journal_title：Molecular bioSystems

authors： Ciavardelli D,D'Orazio M,Pieroni L,Consalvo A,Rossi C,Sacchetta P,Di Ilio C,Battistoni A,Urbani A

更新日期：2013-06-01 00:00:00

abstract：:Differential gene expression governs the development, function and pathology of multicellular organisms. Transcription regulatory networks study differential gene expression at a systems level by mapping the interactions between regulatory proteins and target genes. While microarray transcription profiles are the most...

journal_title：Molecular bioSystems

authors： Vermeirssen V,Joshi A,Michoel T,Bonnet E,Casneuf T,Van de Peer Y

更新日期：2009-12-01 00:00:00

abstract：:Plant stress hormones, such as jasmonates (JAs) and ethylene (ET) are essential in plant defence against stress conditions. JAs are used in cosmetics and food flavouring, and the recently demonstrated anti-cancer activity of JAs highlights their potential in health protection. It reinforces the need for a better under...

journal_title：Molecular bioSystems

authors： Schweighofer A,Meskiene I

更新日期：2008-08-01 00:00:00

abstract：:The neuroscientific community rapidly adopted RNA interference techniques as an experimental tool for the dissection of gene function in vitro and in animal models of neurological disease in vivo. Here, we discuss recent advances in the biotechnical implementation of siRNA/shRNA-mediated gene silencing focusing on iss...

journal_title：Molecular bioSystems

authors： Lingor P,Bähr M

更新日期：2007-11-01 00:00:00

abstract：:The major mechanical function of talin is to couple the β-integrin cytoplasmic tails to actin filaments. A variety of β-integrin tails contain conserved binding motifs for talin, and recent research shows that β-integrins differ both in affinity to talin and preferences for other cytoplasmic adaptor proteins. While ta...

journal_title：Molecular bioSystems

authors： Kukkurainen S,Määttä JA,Saeger J,Valjakka J,Vogel V,Hytönen VP

更新日期：2014-12-01 00:00:00

abstract：:The human corticotropin-releasing factor receptor type 1 (CRF1R) is a class B G-protein-coupled receptor (GPCR), which mediates the response to stress and has been considered as a drug target for depression and anxiety. Based on the CRF1R-antagonist crystal structure, we study the binding mechanism of two distinct ant...

journal_title：Molecular bioSystems

authors： Xu J,Wang Z,Liu P,Li D,Lin J

更新日期：2015-07-01 00:00:00

abstract：:Regular physical activity is associated with a reduced risk of coronary heart disease, as it probably modifies the balance between free-radical generation and antioxidant activity. On the other hand, however, acute physical activity increases oxygen uptake and leads to a temporary imbalance between the production of r...

journal_title：Molecular bioSystems

authors： Guidi F,Magherini F,Gamberi T,Bini L,Puglia M,Marzocchini R,Ranaldi F,Modesti PA,Gulisano M,Modesti A

更新日期：2011-03-01 00:00:00