Molecular docking and molecular dynamics studies on β-lactamases and penicillin binding proteins.

abstract：:Unbalanced uptake of Omega 6/Omega 3 (ω-6/ω-3) ratios could increase chronic disease occurrences, such as inflammation, atherosclerosis, or tumor proliferation, and methylation methods for measuring the ruminal microbiome fatty acid (FA) composition/distribution play a vital role in discovering the contribution of foo...

journal_title：Molecular bioSystems

authors： Liu Y,Buendía-Rodríguez G,Peñuelas-Rívas CG,Tan Z,Rívas-Guevara M,Tenorio-Borroto E,Munteanu CR,Pazos A,González-Díaz H

更新日期：2015-11-01 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：:We recently reported a chemical genetic method for generating bivalent inhibitors of protein kinases. This method relies on the use of the DNA repair enzyme O(6)-alkylguanine-DNA alkyltransferase (AGT) to display an ATP-competitive inhibitor and a ligand that targets a secondary binding domain. With this method potent...

journal_title：Molecular bioSystems

authors： Hill ZB,Perera BG,Maly DJ

更新日期：2011-02-01 00:00:00

abstract：:Recently, accumulating studies have indicated that microRNAs (miRNAs) play an important role in exploring the pathogenesis of various human diseases at the molecular level and may result in the design of specific tools for diagnosis, treatment evaluation and prevention. Experimental identification of disease-related m...

journal_title：Molecular bioSystems

authors： Sun D,Li A,Feng H,Wang M

更新日期：2016-06-21 00:00:00

abstract：:Inferring metabolic networks from metabolite concentration data is a central topic in systems biology. Mathematical techniques to extract information about the network from data have been proposed in the literature. This paper presents a critical assessment of the feasibility of reverse engineering of metabolic networ...

journal_title：Molecular bioSystems

authors： Hendrickx DM,Hendriks MM,Eilers PH,Smilde AK,Hoefsloot HC

更新日期：2011-02-01 00:00:00

abstract：:In the post-genome era, one of the most important and challenging tasks is to identify the subcellular localizations of protein complexes, and further elucidate their functions in human health with applications to understand disease mechanisms, diagnosis and therapy. Although various experimental approaches have been ...

journal_title：Molecular bioSystems

authors： Li ZC,Lai YH,Chen LL,Chen C,Xie Y,Dai Z,Zou XY

更新日期：2013-04-05 00:00:00

abstract：:Classical Hodgkin lymphoma (cHL) is a malignancy with complex pathogenesis. The hallmark of the disease is the presence of large mononucleated Hodgkin and bi- or multinucleated Reed/Sternberg (H/RS) cells. The origin of HRS cells in cHL is controversial as these cells show the coexpression of markers of several lineag...

journal_title：Molecular bioSystems

authors： Vergara D,Simeone P,De Matteis S,Carloni S,Lanuti P,Marchisio M,Miscia S,Rizzello A,Napolitano R,Agostinelli C,Maffia M

更新日期：2016-01-01 00:00:00

abstract：:Primarily used for medicinal purposes in the past, biologically active small molecules have been increasingly employed to explore complex biological processes in the era of "chemical genetics". Since the contributions of this small molecule approach to biology have been extensive, we limit the focus of our review to t...

journal_title：Molecular bioSystems

authors： Wehenkel M,Hong JT,Kim KB

更新日期：2008-04-01 00:00:00

abstract：:Hypoxia and inflammation have been identified as the hallmarks of colitis, intertwined with metabolism. Here, we report that halofuginone (HF), an antiparasitic drug, attenuates dextran sulfate sodium (DSS)-induced colitis in mice, as represented by attenuating the disease activity index, inhibiting colonic shortening...

journal_title：Molecular bioSystems

authors： Liu J,Xiao HT,Wang HS,Mu HX,Zhao L,Du J,Yang D,Wang D,Bian ZX,Lin SH

更新日期：2016-06-21 00:00:00

abstract：:The knowledge available about the application and generation of induced pluripotent stem cells (iPSC) has grown since their discovery, and new techniques to enhance the reprogramming process have been described. Among the new approaches to induce iPSC that have gained great attention is the use of small molecules for ...

journal_title：Molecular bioSystems

authors： Feltes BC,Bonatto D

更新日期：2013-11-01 00:00:00

abstract：:G protein-coupled receptors (GPCRs) are key signaling proteins that regulate how cells interact with their environment. Traditional signaling cascades involving GPCRs have been well described and are well established and very important clinical targets. With the development of more recent technologies, hints about the...

journal_title：Molecular bioSystems

authors： Zhang X,Eggert US

更新日期：2013-04-05 00:00:00

abstract：:Protein phosphorylation is associated with most cell signaling and developmental processes in eukaryotes. Despite the vast extent of the phosphoproteome within the cell, connecting specific kinases with relevant targets remains a significant experimental frontier. The challenge of linking kinases and their substrates ...

journal_title：Molecular bioSystems

authors： Sopko R,Andrews BJ

更新日期：2008-09-01 00:00:00

abstract：:α-Anomers of 2'-deoxyadenosine (αdA) are major products of deoxyadenosine damage when DNA is γ-irradiated under anoxic conditions. Such lesions are a threat to genomic stability and are known to be processed by human apurinic/apyrimidinic endonuclease 1 (APE1). The aim of this study was to determine whether the α-anom...

journal_title：Molecular bioSystems

authors： Timofeyeva NA,Fedorova OS

更新日期：2016-10-18 00:00:00

abstract：:Insights into the structure and dynamics of modular polyketide synthases (PKS) are essential for understanding the mechanistic details of the biosynthesis of a large number of pharmaceutically important secondary metabolites. The crystal structures of the KS-AT di-domain from erythromycin synthase have revealed the re...

journal_title：Molecular bioSystems

authors： Anand S,Mohanty D

更新日期：2012-04-01 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：:Induced hypoxia stress on cervical cancer derived cells (HeLa cells) leads to significant changes in their membrane lipid profiles. The lipidome of HeLa cells was characterized by a joint approach wherein liquid chromatography-mass spectrometry (LC-MS) analysis was followed by high resolution NMR measurements. Multiva...

journal_title：Molecular bioSystems

authors： Yu Y,Vidalino L,Anesi A,Macchi P,Guella G

更新日期：2014-04-01 00:00:00

abstract：:The importance of microRNA (miRNA) in modulating gene expression at the post-transcriptional level is well known. Such regulation has been shown to influence the dynamics of several regulatory networks including the cell cycle. In this study we incorporated regulatory effects of intronic miRNA into an existing mathema...

journal_title：Molecular bioSystems

authors： Gokhale S,Hariharan M,Brahmachari SK,Gadgil C

更新日期：2012-08-01 00:00:00

abstract：:Large combinatorial libraries of macrocyclic peptides are a useful source of bioactive compounds. However, peptides are not generally cell permeable, so there is great interest in the development of methods to create large libraries of modified peptides. In particular, N-alkylation of peptides is known to improve thei...

journal_title：Molecular bioSystems

authors： Morimoto J,Kodadek T

更新日期：2015-10-01 00:00:00

abstract：:Recently, the development of Src/Abl (c-Src/Bcr-Abl tyrosine kinases) dual inhibitors has attracted considerable attention from the research community for treatment of malignancies. In order to explore the different structural features impacting the Src and Abl inhibitory activities of N(9)-arenethenyl purines and to ...

journal_title：Molecular bioSystems

authors： Ma S,Zeng G,Fang D,Wang J,Wu W,Xie W,Tan S,Zheng K

更新日期：2015-02-01 00:00:00

abstract：:Proteomics is the study of proteins and their interactions within complex biological systems. While this field is often associated with mass spectrometry, it is more useful to consider proteomics in the context of an objective: to identify and understand the molecular basis of health and disease at the protein level i...

journal_title：Molecular bioSystems

authors： Bark SJ,Hook V

更新日期：2007-01-01 00:00:00

abstract：:The present study describes for the first time, a metabolic profile reflecting the osteoporosis progression in 364 pre- and postmenopausal Chinese women using GC-MS. In order to accurately evaluate the dynamic changes of metabolites along with estrogen deficiency and osteoporosis progression, we divided these subjects...

journal_title：Molecular bioSystems

authors： Qi H,Bao J,An G,Ouyang G,Zhang P,Wang C,Ying H,Ouyang P,Ma B,Zhang Q

更新日期：2016-06-21 00:00:00

abstract：:TGF-β1, 2 and 3 cytokines are involved in many cellular processes including cell proliferation, differentiation, migration and survival. Whereas TGF-β2 and 3 play important roles in embryonic development, TGF-β1 is mostly implicated in controlling immune responses after birth. The production of TGF-β1 is a tightly reg...

journal_title：Molecular bioSystems

authors： Stockis J,Dedobbeleer O,Lucas S

更新日期：2017-09-26 00:00:00

abstract：:A major mode of signal transduction in bacteria is the two-component system, which involves phosphorylation of an output-generating receiver protein by a signal-sensing histidine kinase. This differs from the more common one-component system--where both signal sensing and output generation are performed by the same pr...

journal_title：Molecular bioSystems

authors： Seshasayee AS,Luscombe NM

更新日期：2011-11-01 00:00:00

abstract：:A recent model proposing that a barrier is raised against tumor evolution in pre-cancer tissues is investigated. For that we quantify expression alterations in genome maintenance pathways: DNA damage response, death pathways and cell cycle and also differentially expressed genes in transcriptomes of pre-cancerous and ...

journal_title：Molecular bioSystems

authors： Simão ÉM,Sinigaglia M,Bugs CA,Castro MA,Librelotto GR,Alves R,Mombach JC

更新日期：2012-11-01 00:00:00

abstract：:The identification of disulfide bonds provides critical information regarding the structure and function of a protein and is a key aspect in understanding signaling cascades in biological systems. Recent proteomic approaches using digestion enzymes have facilitated the characterization of disulfide-bonds and/or oxidiz...

journal_title：Molecular bioSystems

authors： Na S,Paek E,Choi JS,Kim D,Lee SJ,Kwon J

更新日期：2015-04-01 00:00:00

abstract：:Oxygen dependent modulation of red blood cell metabolism is a long investigated issue. However, the recent introduction of novel mass spectrometry-based approaches lends itself to implement our understanding of the effects of red blood cell prolonged exposure to anaerobiosis. Indeed, most of the studies conducted so f...

journal_title：Molecular bioSystems

authors： D'Alessandro A,Gevi F,Zolla L

更新日期：2013-06-01 00:00:00

abstract：:α-Alkylidene-γ-butyrolactones are quite common in nature and exhibit a broad spectrum of biological activities. We therefore synthesized a small library of xanthatine inspired α-alkylidene-γ-butyrolactones to screen non-pathogenic and uropathogenic E. coli strains by activity based protein profiling (ABPP). The identi...

journal_title：Molecular bioSystems

authors： Kunzmann MH,Sieber SA

更新日期：2012-11-01 00:00:00

abstract：:Comparative analysis of the complete genome sequences from a variety of poorly studied organisms aims at predicting ecological and behavioral properties of these organisms and helping in characterizing their habitats. This task requires finding appropriate descriptors that could be correlated with the core traits of e...

journal_title：Molecular bioSystems

authors： Galperin MY,Higdon R,Kolker E

更新日期：2010-04-01 00:00:00

abstract：:MicroiRNAs are genome encoded small double stranded RNAs that regulate expression of homologous mRNAs. With approximately 2500 human miRNAs and each having hundreds of potential mRNA targets, miRNA based gene regulation is quite pervasive in both development and disease. While there are numerous studies investigating ...

journal_title：Molecular bioSystems

authors： Chaulk SG,Ebhardt HA,Fahlman RP

更新日期：2016-01-01 00:00:00

abstract：:MicroRNAs are a predominant type of small non-coding RNAs approximately 21 nucleotides in length that play an essential role at the post-transcriptional level by either RNA degradation, translational repression or both through an RNA-induced silencing complex. Identification of these molecules can aid the dissecting o...

journal_title：Molecular bioSystems

authors： Yao Y,Ma C,Deng H,Liu Q,Zhang J,Yi M

更新日期：2016-10-20 00:00:00