A collaborative database and computational models for tuberculosis drug discovery.

abstract：:Mimicking receptor flexibility during receptor-ligand binding is a challenging task in computational drug design since it is associated with a large increase in the conformational search space. In the present study, we have devised an in silico design strategy incorporating receptor flexibility in virtual screening to...

journal_title：Molecular bioSystems

authors： Chakraborty S,Ramachandran B,Basu S

更新日期：2014-10-01 00:00:00

abstract：:Intrinsically disordered regions in proteins are known to evolve rapidly while maintaining their function. However, given their lack of structure and sequence conservation, the means through which they stay functional is not clear. Poor sequence conservation also hampers the classification of these regions into functi...

journal_title：Molecular bioSystems

authors： Moesa HA,Wakabayashi S,Nakai K,Patil A

更新日期：2012-10-30 00:00:00

abstract：:We have investigated the thermodynamics of the interaction between the TATA-box-binding protein from Pyrococcus horikoshii (PhoTBP) and its target DNA (TATA-1). The interaction between PhoTBP and double-stranded DNA (dsDNA) is entropically favorable and enthalpically unfavorable. The thermodynamic parameters for TATA-...

journal_title：Molecular bioSystems

authors： Nagatoishi S,Tanaka Y,Kudou M,Tsumoto K

更新日期：2009-09-01 00:00:00

abstract：:Homogeneous oligodeoxyguanylates incorporating small-molecule intercalator pyrene moieties in a 1,5 relationship form various structures of dimer, trimer, tetramer and internal hairpin form that are yellowish in color because of the intermolecular interactions between the pyrene units. ...

journal_title：Molecular bioSystems

authors： Jeong HS,Park M,Yi JW,Joo T,Kim BH

更新日期：2010-06-01 00:00:00

abstract：:Ebola virus (EBOV) is highly lethal due to virally encoded immune antagonists, and the combination of EBOV VP24 with karyopherin alpha (KPNA) will trigger anti-interferon (IFN) signaling. The crystal structure of VP24-KPNA5 has been proposed in recent studies, but the precise binding mechanisms are still unclear. In o...

journal_title：Molecular bioSystems

authors： Ding JN,Zhang YJ,Zhong H,Ao CC,Li J,Han JG

更新日期：2017-05-02 00:00:00

abstract：:To improve the performance of nanostructured calcium carbonate in gene delivery, a hydrophilic polysaccharide, alginate, was added to calcium carbonate co-precipitation systems to form alginate/CaCO(3)/DNA nanoparticles. The size and ζ-potential of the nanoparticles were measured by a zetasizer. Due to the existence o...

journal_title：Molecular bioSystems

authors： Zhao D,Zhuo RX,Cheng SX

更新日期：2012-03-01 00:00:00

abstract：:Cellular heterogeneity and stochastic fluctuation play key roles in biological processes. Single molecule approaches have the key advantage of avoiding ensemble averaging, allowing the observation of transient intermediates and heterogeneity (both static and dynamic). Thus they have revolutionised the way many biologi...

journal_title：Molecular bioSystems

authors： Ying L

更新日期：2007-06-01 00:00:00

abstract：:To identify an agent with specific activity against human lens epithelial cells (HLECs), we confirmed the presence of glucocorticoid receptors (GRs) and GR-α genes and evaluated whether GRs have a relationship with the apoptotic process in cultured HLECs. We also determined whether the inhibitor RU486 could rescue the...

journal_title：Molecular bioSystems

authors： Wang L,Zhao W,Leng F,Ge J,Bu Z,Zhang Y,Liu P

更新日期：2011-06-01 00:00:00

abstract：:The protein kinase C (PKC) family of serine/threonine kinases is an attractive drug target for the treatment of cancer and other diseases. Diacylglycerol (DAG), phorbol esters and others act as ligands for the C1 domain of PKC isoforms. Inspection of the crystal structure of the PKCδ C1b subdomain in complex with phor...

journal_title：Molecular bioSystems

authors： Mamidi N,Gorai S,Mukherjee R,Manna D

更新日期：2012-04-01 00:00:00

abstract：:Here we present a novel statistical methodology that allows us to analyze gene expression data that have been collected from a number of different cases or conditions in a unified framework. Using a Bayesian nonparametric framework we develop a hierarchical model wherein genes can maintain a shared set of interactions...

journal_title：Molecular bioSystems

authors： Thorne T,Fratta P,Hanna MG,Cortese A,Plagnol V,Fisher EM,Stumpf MP

更新日期：2013-07-01 00:00:00

abstract：:Microbial long chain alcohols and alkanes are renewable biofuels that could one day replace petroleum-derived fuels. Here we report a novel pathway for high efficiency production of these products in Escherichia coli strain BL21(DE3). We first identified the acyl-ACP reductase/aldehyde deformylase combinations with th...

journal_title：Molecular bioSystems

authors： Coursolle D,Lian J,Shanklin J,Zhao H

更新日期：2015-09-01 00:00:00

abstract：:It is well known that oligomeric/aggregated amyloid β peptides are a key player in the pathogenesis of Alzheimer's disease and that different nanoparticles influence oligomerization/aggregation processes in experiments in vitro. Our previous results demonstrated antiaggregation effects of magnetite nanoparticles in th...

journal_title：Molecular bioSystems

authors： Gažová Z,Antošová A,Krištofiková Z,Bartoš A,Ríčný J,Cechová L,Klaschka J,Rípová D

更新日期：2010-11-01 00:00:00

abstract：:Ca2+ transport across the sarco/endoplasmic reticulum (SR) plays an essential role in intracellular Ca2+ homeostasis, signalling, cell differentiation and muscle contractility. During SR Ca2+ uptake and release, proton fluxes are required to balance the charge deficit generated by the exchange of Ca2+ and other ions a...

journal_title：Molecular bioSystems

authors： Espinoza-Fonseca LM

更新日期：2017-03-28 00:00:00

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：:Despite many prior studies on microbial response to oxidative stress, our understanding of microbial tolerance against oxidative stress is currently limited to aerobic conditions, and few engineering strategies have been devised to resolve toxicity issues of oxidative stress under anaerobic conditions. Since biologica...

journal_title：Molecular bioSystems

authors： Kang A,Tan MH,Ling H,Chang MW

更新日期：2013-02-02 00:00:00

abstract：:Upon rapid ascent to a high altitude, non-acclimatized individuals, although healthy, are highly prone to contracting high-altitude pulmonary edema (HAPE). Early diagnosis is difficult and there is no reliable biomarker available. We used proton ((1)H) NMR metabolomics to profile the altered metabolic patterns of bloo...

journal_title：Molecular bioSystems

authors： Luo Y,Zhu J,Gao Y

更新日期：2012-06-01 00:00:00

abstract：:Drug promiscuity is one of the key issues in current drug development. Many famous drugs have turned out to behave unexpectedly due to their propensity to bind to multiple targets. One of the primary reasons for this promiscuity is that drugs bind to multiple distinctive target environments, a feature that we call mul...

journal_title：Molecular bioSystems

authors： Park K,Lee S,Ahn HS,Kim D

更新日期：2009-08-01 00:00:00

abstract：:In this review we bring together recent results from our group focused towards the development of biosensors from single conically-shaped artificial nanopores. The nanopores, used in the work presented here, were prepared using the track-etch process. The fabrication of track-etched conical nanopores has been optimize...

journal_title：Molecular bioSystems

authors： Sexton LT,Horne LP,Martin CR

更新日期：2007-10-01 00:00:00

abstract：:4-Aminoantipyrine (AAP) is scarcely administered as an analgesic drug because of the potential side effects. The residue of AAP in the environment possesses a potential threat to human health. In this article, the binding mode of AAP with the important antioxidant enzyme catalase (CAT) was investigated using spectrosc...

journal_title：Molecular bioSystems

authors： Teng Y,Zhang H,Liu R

更新日期：2011-11-01 00:00:00

abstract：:The adaptation of the cellular network to functional changes, timing and patterning of gene expression is regulated by binding of transcription factors to gene regulatory elements, which in turn depends on co-occurring histone modifications. These two layers influence each other, enabling a further level of regulatory...

journal_title：Molecular bioSystems

authors： Schueler M,Zhang Q,Schlesinger J,Tönjes M,Sperling SR

更新日期：2012-02-01 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：:CC chemokine receptor 5 (CCR5), a member of G protein-coupled receptors (GPCRs), plays a vital role in inflammatory responses to infection. Alterations in the expression of CCR5 have been correlated with disease progression in many types of cancers. The idea of using CCR5 as a target for therapeutic intervention has b...

journal_title：Molecular bioSystems

authors： Wang J,Shu M,Wang Y,Hu Y,Wang Y,Luo Y,Lin Z

更新日期：2016-10-18 00:00:00

abstract：:DNA-binding proteins play a pivotal role in various biological activities. Identification of DNA-binding residues (DBRs) is of great importance for understanding the mechanism of gene regulations and chromatin remodeling. Most traditional computational methods usually construct their predictors on static non-redundant...

journal_title：Molecular bioSystems

authors： Chai H,Zhang J,Yang G,Ma Z

更新日期：2016-11-15 00:00:00

abstract：:The zebrafish Danio rerio is a model vertebrate organism for understanding biological mechanisms. Recent studies have explored using zebrafish as a model for lipid-related diseases, for in vivo fish bioassays, and for embryonic toxicity experiments. Mass spectrometry (MS) and MS imaging are established tools for lipid...

journal_title：Molecular bioSystems

authors： Pirro V,Guffey SC,Sepúlveda MS,Mahapatra CT,Ferreira CR,Jarmusch AK,Cooks RG

更新日期：2016-06-01 00:00:00

abstract：:Diabetic nephropathy (DN) is a serious metabolic disease, and comprehensive understanding of its complex mechanism will help in preventing the onset and progression of DN. To reveal the systemic metabolic changes associated with renal injury, we performed 1H NMR-based metabonomic and multivariate analyses to analyze s...

journal_title：Molecular bioSystems

authors： Liu J,Wang D,Chen Y,Sun H,He S,Wang C,Yang G,Shi M,Zhang J,Ren Y,Wang L,Lu Y,Cheng J

更新日期：2013-11-01 00:00:00

abstract：:To faithfully execute diverse biological programs all cells need to access and distribute their genomes in a highly organized way. In the nucleus of eukaryotic cells DNA is packed with histone proteins into chromatin. The originating nucleo-protein complex is the regulatory platform for all genetic processes. Of these...

journal_title：Molecular bioSystems

authors： Nikolov M,Fischle W

更新日期：2013-02-02 00:00:00

abstract：:Major progress in the study of RNase P has resulted from crystallography of bacterial catalytic subunits and the discovery of catalytic activity in eukaryotes. Several new substrates have also been identified, primarily in bacteria but also in yeast. Our current world should be called the "RNA-protein world" rather th...

journal_title：Molecular bioSystems

authors： Altman S

更新日期：2007-09-01 00:00:00

abstract：:Structural insight into DNA quadruplex structures formed by oligodeoxyribonucleotides 3'TG5'-5'GGGT3' (QS55) and 5'TG3'-3'GGGT5' (QS33) is presented. NMR analysis reveals that QS33 forms a parallel-like four-fold symmetric quadruplex, while QS55 possesses a two-fold symmetry and is characterized by a tetrameric antipa...

journal_title：Molecular bioSystems

authors： Galeone A,Mayol L,Virgilio A,Virno A,Randazzo A

更新日期：2008-05-01 00:00:00

abstract：:In the field of synthetic biology, recent genetic engineering efforts have enabled the construction of novel genetic circuits with diverse functionalities and unique activation mechanisms. Because of these advances, artificial genetic networks are becoming increasingly complex, and are demonstrating more robust behavi...

journal_title：Molecular bioSystems

authors： Sayut DJ,Kambam PK,Sun L

更新日期：2007-12-01 00:00:00

abstract：:Transcription factors (TFs) and microRNAs (miRNAs) can jointly regulate transcriptional networks in the form of recurrent circuits or motifs. A motif can be divided into a feedforward loop (FFL) and a feedback loop (FBL). Incoherent FFLs have been the recent focus due to their potential to dampen gene expression noise...

journal_title：Molecular bioSystems

authors： Li Y,Liang C,Easterbrook S,Luo J,Zhang Z

更新日期：2014-12-01 00:00:00