Studies of N(9)-arenthenyl purines as novel DFG-in and DFG-out dual Src/Abl inhibitors using 3D-QSAR, docking and molecular dynamics simulations.

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：: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

abstract：:The dairy bacterium Lactococcus lactis has to master a complicated task. It must control its essentially linear glycolytic pathway in such a fashion that, when the substrate, glucose, runs out, it retains enough phosphoenolpyruvate and fructose-1,6-bisphosphate to be able to restart glycolysis as soon as new glucose b...

journal_title：Molecular bioSystems

authors： Dolatshahi S,Fonseca LL,Voit EO

更新日期：2016-01-01 00:00:00

abstract：:The recognition and association between the Ca2+/calmodulin-activated protein kinase II-α (CaMKIIα) and the multi-PDZ domain protein 1 (MUPP1) plays an important role in the sperm acrosome reaction and human fertilization. Previously, we have demonstrated that the MUPP1 PDZ11 domain is the primary binding partner of t...

journal_title：Molecular bioSystems

authors： Zhang YL,Han ZF

更新日期：2017-09-26 00:00:00

abstract：:Predicting protein subcellular localization is a challenging problem, particularly when query proteins have multi-label features meaning that they may simultaneously exist at, or move between, two or more different subcellular location sites. Most of the existing methods can only be used to deal with the single-label ...

journal_title：Molecular bioSystems

authors： Lin WZ,Fang JA,Xiao X,Chou KC

更新日期：2013-04-05 00:00:00

abstract：:Amino functionalized cross-linked polystyrene microspheres of well defined sizes (0.2-2 mum) have been prepared and shown to be efficient and controllable delivery devices, capable of transporting anything from small dye molecules to bulky proteins into cells. However, the specific mechanism of cellular entry is large...

journal_title：Molecular bioSystems

authors： Alexander LM,Pernagallo S,Livigni A,Sánchez-Martín RM,Brickman JM,Bradley M

更新日期：2010-02-01 00:00:00

abstract：:We report the successful application of selective excitation sculptured TOCSY NMR (SXS-TOCSY) to identify individual solution components from a heterogeneous system using selectively acquired (1)H NMR spin system patterns. SXS-TOCSY application is illustrated by detection of the simultaneous presence of poly-beta-(1,6...

journal_title：Molecular bioSystems

authors： Wagstaff JL,Sadovskaya I,Vinogradov E,Jabbouri S,Howard MJ

更新日期：2008-02-01 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：:Cervical cancer is a clinical and pathological heterogeneity disease, which requires different types of treatments and leads to a variety of outcomes. In clinical practice, only some patients benefit from chemotherapy treatment. Identifying patients who will be responsive to chemotherapy could increase their survival ...

journal_title：Molecular bioSystems

authors： Hou Y,Yin M,Sun F,Zhang T,Zhou X,Li H,Zheng J,Chen X,Li C,Ning X,Lou G,Li K

更新日期：2014-08-01 00:00:00

abstract：:The Library of Integrated Network-based Cellular Signatures (LINCS) L1000 big data provide gene expression profiles induced by over 10 000 compounds, shRNAs, and kinase inhibitors using the L1000 platform. We developed csNMF, a systematic compound signature discovery pipeline covering from raw L1000 data processing to...

journal_title：Molecular bioSystems

authors： Liu C,Su J,Yang F,Wei K,Ma J,Zhou X

更新日期：2015-03-01 00:00:00

abstract：:A metabolomic study was performed to investigate the biochemical profiles of livers from male and female zebrafish (Danio rerio), using a multiple platform approach, incorporating 1H NMR, GC/MS and LC/MS. The reproducibility and reliability of the three methods were validated prior to the assays. Major biomolecules de...

journal_title：Molecular bioSystems

authors： Ong ES,Chor CF,Zou L,Ong CN

更新日期：2009-03-01 00:00:00

abstract：:Histone deacetylases (HDACs) contribute to regulation of gene expression by mediating higher-order chromatin structures. They assemble into large multiprotein complexes that regulate activity and specificity. We report the development of small molecule probes with class IIa and pan-HDAC activity that contain photoreac...

journal_title：Molecular bioSystems

authors： Albrow VE,Grimley RL,Clulow J,Rose CR,Sun J,Warmus JS,Tate EW,Jones LH,Storer RI

更新日期：2016-05-24 00:00:00

abstract：:The effect of aging and development in male Wistar-derived rats on the profile of endogenous metabolites excreted in the urine was investigated using both (1)H NMR spectroscopy and HPLC-TOF MS using electrospray ionisation (ESI). The endogenous metabolites were profiled in samples collected from male rats every two we...

journal_title：Molecular bioSystems

authors： Williams RE,Lenz EM,Lowden JS,Rantalainen M,Wilson ID

更新日期：2005-07-01 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：:As a potential target for the treatment of schizophrenia, the dual cAMP/cGMP hydrolyzing enzyme PDE10A has attracted a significant amount of attention. In the present work, the inhibition mechanism of 116 structurally diverse quinoline derivatives as PDE10A inhibitors was explored by 3D-QSAR, molecular docking and mol...

journal_title：Molecular bioSystems

authors： Wu Q,Gao Q,Guo H,Li D,Wang J,Gao W,Han C,Li Y,Yang L

更新日期：2013-03-01 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：:Many Gram-negative bacterial pathogens use type III secretion systems (TTSSs) for subverting the normal cellular functions of their target eukaryotic cells. The type III secretion apparatus (TTSA) functions like a syringe to inject proteins through an external needle and into a target cell's membrane and cytosol. The ...

journal_title：Molecular bioSystems

authors： Wang Y,Zhang L,Picking WL,Picking WD,De Guzman RN

更新日期：2008-12-01 00:00:00

abstract：:Recently circular RNA (circularRNA) has been discovered as an increasingly important type of long non-coding RNA (lncRNA), playing an important role in gene regulation, such as functioning as miRNA sponges. So it is very promising to identify circularRNA transcripts from de novo assembled transcripts obtained by high-...

journal_title：Molecular bioSystems

authors： Pan X,Xiong K

更新日期：2015-08-01 00:00:00

abstract：:Nicotinamide adenine dinucleotide (NAD) is a ubiquitous cofactor participating in numerous redox reactions. It is also a substrate for regulatory modifications of proteins and nucleic acids via the addition of ADP-ribose moieties or removal of acyl groups by transfer to ADP-ribose. In this study, we use in-depth seque...

journal_title：Molecular bioSystems

authors： de Souza RF,Aravind L

更新日期：2012-06-01 00:00:00

abstract：:We demonstrate the expected preference of an immobilised oligosaccharide Man(9)(GlcNAc)(2) upon a 96-well photochemical array, for its known receptor, the cell-surface lectin Dendritic Cell-Specific ICAM3 Grabbing Nonintegrin (DC-SIGN) when compared to immobilised competing monosaccharides. ...

journal_title：Molecular bioSystems

authors： Dilly SJ,Clark AJ,Mitchell DA,Marsh A,Taylor PC

更新日期：2011-01-01 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：: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：: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：:In vivo analysis is of paramount importance in monitoring physiological processes that take place in living organisms. Mass spectrometry, an analytical technique with high speed, sensitivity and specificity, is indispensable in biochemical studies nowadays. However, traditional mass spectrometric techniques are of lim...

journal_title：Molecular bioSystems

authors： So PK,Hu B,Yao ZP

更新日期：2013-05-01 00:00:00

abstract：:Electrospray ionization mass spectrometry combined with high efficiency capillary liquid chromatography provides high sensitivity and broad dynamic range measurements for the characterization of biological macromolecules in complex matrices, and is an increasingly powerful analytical tool for systems biology research....

journal_title：Molecular bioSystems

authors： Smith RD,Tang K,Shen Y

更新日期：2006-05-01 00:00:00

abstract：:Genome-wide RNA interference screens have greatly facilitated the identification of essential host factors (EHFs) for viral infections, whose knockdown effects significantly influence virus replication but not host cell viability. However, little has been done to link EHFs with another important host factor type, i.e....

journal_title：Molecular bioSystems

authors： Xie D,Han L,Luo Y,Liu Y,He S,Bai H,Wang S,Bo X

更新日期：2015-09-01 00:00:00

abstract：:During the preclinical drug discovery process it remains a challenge to enable early elimination of candidate molecules that may have non-specific, off-target activities. Here, we use whole zebrafish embryo assays coupled with genetic analysis to address this issue. PLK1 (Polo-like kinase 1) is one of the key regulato...

journal_title：Molecular bioSystems

authors： Zhong H,Xin S,Zhao Y,Lu J,Li S,Gong J,Yang Z,Lin S

更新日期：2010-08-01 00:00:00

abstract：:Biochemical modifications to mRNA, especially N6-methyladenosine (m6A) and 5-methylcytosine (m5C), have been recently shown to be associated with crucial biological functions. Despite the intriguing advancements, little is known so far about the dynamic landscape of RNA methylome across different cell types and how th...

journal_title：Molecular bioSystems

authors： Liu L,Zhang SW,Zhang YC,Liu H,Zhang L,Chen R,Huang Y,Meng J

更新日期：2015-01-01 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：:Proteins are dynamic creatures. Intrinsically disordered proteins (IDPs) function as multiplicity of structures and their activities can only be described by stochastic structure-function relationships. In their complex forms, however, IDPs were thought to lose their plasticity and behave similarly to globular protein...

journal_title：Molecular bioSystems

authors： Fuxreiter M

更新日期：2012-01-01 00:00:00