protein structure and drug discovery

Báo cáo y học: "Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery" doc

Ngày tải lên : 14/08/2014, 08:20

... metabolism-relevant ligands Click here data file bio-ligands Ligands and theand2 of bio-ligands and binding ATP, ligands Additionalfor file 1ownerships of metabolism-relevantADP and block numbers of for proteins ... ACD-SC-derived ordinary molecules; Ligands, sc-PDB-derived ligands; Ligands (≤ 3), ligands covering ≤ folds; Ligands (4-9), ligands covering 4-9 folds; Ligands (≥ 10), ligands covering ≥ 10 folds Implications ... ligand (L) Figure Power-law behaviors of ligand -protein binding Power-law behaviors of ligand -protein binding The number of ligands (N) decays with an increase in the number (L) of (a) domains and...

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Báo cáo khoa học: N1 – IUBMB 50th Anniversary Symposium: Protein Structure and Function potx

Ngày tải lên : 23/03/2014, 15:20

... diabetic human placenta and then to purify and examine kinetic properties The fresh placenta was obtained and the tissues were cooled, washed and perfused and weighed, then minced and suspended in three ... precursor, huntingtin, parkin and fragile-X mental retardation proteins as well as some S100, IeF, ribosomal, chaperone, receptor, adaptor and serum proteins and several proteins associated with ataxia, ... activity of p53 and the p73 isoforms was then analysed on some of the common and unique targets and the cross-talk between p53 and its family members was also investigated N3-036P Structure and expression...

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Development of database and computational methods for disease detection and drug discovery

Ngày tải lên : 10/09/2015, 09:04

... Bioinformatics and cheminformatics in drug discovery The combination of random screening and rational drug design have played an important role in drug discovery [44] The traditional drug discovery ... targets and drug of the approved, clinical trial, and experimental drugs These database lead to a better understanding of the disease and benefit for drug discovery Src promotes tumour invasion and ... http://scop.mrc-lmb.cam.ac.uk/scop/ PDB protein Protein Data Bank http://www.rcsb.org/pdb/home/home.d acids, and Complex MMDB Structures of proteins, nucleic o Protein structure at NCBI http://www.ncbi.nlm.nih.gov /Structure/ ...

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Human embryonic stem cells as a cellular model for osteogenesis in implant testing and drug discovery

Ngày tải lên : 16/10/2015, 15:38

... implant testing and drug discovery along its differentiation process toward osteogenic lineage Most of the current implant testing relies on adult stem cell (Mesenchymal stem cells, etc.) and primary ... the implant, but also helps us to understand development of osteoblast cells that constitute the bone and their function In sum, either as a model for drug discovery or implant testing, hESCs are ... potential drugs and medicine without the use of animals or human volunteers Comparing with immortal cell lines and animal models, stem cell reflects the best human physiology When used for drug testing,...

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Tài liệu Báo cáo khoa học: Interaction between very-KIND Ras guanine exchange factor and microtubule-associated protein 2, and its role in dendrite growth – structure and function of the second kinase noncatalytic C-lobe domain docx

Ngày tải lên : 14/02/2014, 19:20

... domains of Spir-2 and PTPN13 were generated by RT-PCR and inserted into pEGFP-C1 and pGEX-4T-2 The N- and C-terminal regions of the v-KIND KIND2 and the MAP2 CD were generated by PCR and cloned into ... residues, and provided evidence that these novel protein protein interaction core modules play a pivotal role in regulating dendrite growth and branching of cerebellar granule cells and hippocampal ... study revealed the structural and functional determinants of the protein protein interaction between v-KIND and MAP2 (i.e the MAP2-binding core module in v-KIND and the v-KIND-binding core module...

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Tài liệu Báo cáo khoa học: Combinatorial approaches to protein stability and structure pdf

Ngày tải lên : 19/02/2014, 12:20

... screens and selection for protein stability and structure. ) Cellular expression One straightforward strategy of screening for structured proteins is to make limited or highly biased libraries and ... characterized, and all were helical, monomeric and stable NOESY, 15N-1H HSQC and 13C-1H HSQC NMR spectra indicated that four of the ﬁve proteins had well-ordered and persistent main-chain and sidechain structure ... Regan lab has studied the structure, function, stability and folding of the four-helix bundle protein rop Rop is an excellent model system for understanding protein structure and stability: it can...

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Tài liệu Báo cáo khoa học: Design, structure and biological activity of b-turn peptides of CD2 protein for inhibition of T-cell adhesion ppt

Ngày tải lên : 19/02/2014, 13:20

... hindrance between peptide and protein, and to relax the hydrogen added to the protein, the peptide and protein were merged and minimized before docking Atomic solvation parameters and fragmental volumes ... of hCD2 and rat CD2 3D structures indicated that Tyr86 and Glu36 side chains overlap in hCD2 and rat CD2 and oriented in the same direction in both the structures To stabilize the b-turn structure ... Human-CD2 and rat-CD2 have high 3D structure similarity Comparison of 3D structures of hCD2 from CD2–CD58 complex [30] and the structure of rat CD2 [36] using DS modeling (Accelrys Inc., Sandiego,...

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Báo cáo khoa học: Evolutionary changes to transthyretin: structure and function of a transthyretin-like ancestral protein doc

Ngày tải lên : 07/03/2014, 00:20

... between the structures of TLP and transthyretins are found in the loop connecting b-strands B and C, which is highly exposed to the solvent in TLP [17] Interruptions in the b-strands A, G and H are ... S dublin TLP and zebrafish TLP are found in the flexible portions of strands B and C that protrude towards the solvent and in the conformation of the long loop connecting strands D and E [17] Greater ... between the loops joining stands G and H with the loops joining strands A and B, making the transthyretin tetramer a ‘dimer of dimers.’ Recently, the first crystal structures of TLP from various...

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Báo cáo khoa học: Solution structure and backbone dynamics of the XPC-binding domain of the human DNA repair protein hHR23B docx

Ngày tải lên : 07/03/2014, 17:20

... for protein interaction Protein Sci 13, 2370– 2377 Herrmann T, Guntert P & Wuthrich K (2002) Protein NMR structure determination with automated NOE assignment using the new software candid and ... in studying the dynamics of protein structures from 15 N and 13C relaxation time mesurements In Biological Magnetic Resonance: Structure Computation and Dynamics in Protein NMR (Krishna NR & Berliner ... presented in yellow, and the polar and charged surfaces are shown in white HT1 and HT2 are hydrophobic trail and 2, respectively HL denotes the hydrophobic linker patch Some structures from the...

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Báo cáo khoa học: Structure and potential C-terminal dimerization of a recombinant mutant of surfactant-associated protein C in chloroform/methanol ppt

Ngày tải lên : 16/03/2014, 16:20

... 1A) and the DQF-COSY spectra (not shown) collected under identical conditions (Table 3) The unique spin systems His8, Lys10, Arg11 and Ala29, and the pairs of Phe and Pro residues and Gly28 and ... gradients for each structure The rmsd values and the distance and dihedral angle violations for the best 10 out of 60 structures are given in Table The ﬁnal structures shown in Figs and were determined ... hydrophobic palmitoylated Cys and Phe residues and on the charged Lys and Arg residues at positions 10 and 11, which probably results in slightly different N-terminal structures for the SP-C variants...

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Báo cáo khoa học: Reﬁned solution structure and backbone dynamics of the archaeal MC1 protein ppt

Ngày tải lên : 22/03/2014, 17:20

... Leu8, His16, and Gly17, is present in seven structures, and another antiparallel b-bulge (B2), composed of Val57, Glu87, and Arg88, is observed for all the structures The secondary structure elements ... DNA and the b-ribbon arms, and variable contacts between additional DNA and the body of the protein [19] In the case of MC1ÆDNA complexes, we know that the protein covers at least 15 bp and that ... 1A,B) The secondary structure elements, namely an a-helix, a1 (25– 32), and ﬁve b-strands, b1 (4–9), b2 (15–21), b3 (43– 48), b4 (55–65), and b5 (79–90), are all antiparallel and packed with each...

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Báo cáo khoa học: Effect of mutations in the b5–b7 loop on the structure and properties of human small heat shock protein HSP22 (HspB8, H11) pptx

Ngày tải lên : 23/03/2014, 07:20

... b-strands are numbered and the b5 and b7 strands are shown in red and blue, respectively G104 (equivalent to K137 of human HSP22) and R108 (equivalent to K141 of human HSP22) are shown in purple and ... indicate that this protein contains very small quantities of a-helices and is enriched in unordered structure and b-strands The residues of HSP22 that are predicted to form b-strands are indicated ... Previously, we compared the structure and properties of the wild-type HSP22 and its K141E mutant [29] The present study analyses the structure and properties of K137E and the K137,141E mutant of...

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Báo cáo khoa học: Solution structure and internal dynamics of NSCP, a compact calcium-binding protein doc

Ngày tải lên : 23/03/2014, 13:20

... calmodulin (1PRW.pdb) and NSCP (solution structure) : )111 and )116, respectively Sequence and structural comparison between calmodulin and three different compact EF-hand proteins (NSCP, Botrychium ... Trp, Leu and Ile residues is 25 in calmodulin and 38, 37, and 35 in NSCP, B lanceolatum SCP and S erythraea calcium-binding protein, respectively Therefore, the collapse of the two EF-hand halves, ... FEBS Table Statistics of the interhelix angles within EF-hand motifs in NSCP, related EF-hand proteins and calmodulin An asterisk marks EF-hand motif that had lost Ca2+-binding capacity Helix pair...

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Báo cáo khoa học: B1–Proteases as Molecular Targets of Drug Development B1-001 DPP-IV structure and inhibitor design ppt

Ngày tải lên : 23/03/2014, 15:20

... peptides and proteins [13], such as acidic and basic proline-rich proteins (PRP) and histatins, allowed recognizing in the presecretory salivary fragmentation pathway the action of a furinlike pro -protein ... diagnostic impact of cathepsins B, L and H from human tissues extracts (normal and tumor tissue) and extracellular uids (such as plasma and urine) and a1-proteinase inhibitor (PI) in pathogenesis ... 157 Abstracts elastase and trypsin- and chymotripsin-like proteinases) As proteinases from king red crab hepatopancreas have high enzymesubstrate afnity to Icelandic scallop proteins, a high degree...

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Báo cáo khoa học: Functional aspects of the solution structure and dynamics of PAF – a highly-stable antifungal protein from Penicillium chrysogenum pdf

Ngày tải lên : 29/03/2014, 23:20

... Asn12 and Lys17 (region 2) and between Lys34 and Asp39 (PAF) and Lys31 and Asp36 (AFP) (region 3) Two conserved GlyLys motifs are repeated in the structure, the glycines (i.e Gly5 from b1 and Gly20 ... indicate b-strands FEBS Journal 276 (2009) 2875–2890 ª 2009 The Authors Journal compilation ª 2009 FEBS 2877 Structure and dynamics of an antifungal protein G Batta et al b-strand secondary structure ... adjacent Lys9 and Lys39 Similarly, Asp23 stabilizes the juxtaposed Lys15 and Lys17 side chains The hydrophobic strand b4 is located between Cys43 and Asp46 and, as a central strand of sheet 2,...

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protein structure prediction, methods and protocol - david m. webster

Ngày tải lên : 08/04/2014, 12:52

... Two protein structures (A) and (B) are shown schematically Two pairs of positions (i, j) in (A) and m, n in (B) are selected Both structures are centered on the origin of a grid (C) at i and m and ... self-consistent 26 Taylor Fig Two protein structures (A) and (B) are shown schematically A pair of positions (i in (A) and m in B) is selected Both structures are centered on i and m and orientated by a local ... in protein structures: a procedure involving comparison of properties and relationship through simulated annealing and dynamic programming J Mol Biol 212, 403–428 Holm, L and Sander, C (1993) Protein- structure...

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fragment based drug discovery and x-ray crystallography

Ngày tải lên : 29/05/2014, 23:54

... Fragment-Based Drug Discovery 115 Michael Hennig, Armin Ruf, and Walter Huber Targeting Protein Protein Interactions and Fragment-Based Drug Discovery ... (2009) Ligand efﬁciency and fragment-based drug discovery Drug Discov Today 14:278–283 83 Orita M, Ohno K, Niimi T (2009) Two ‘golden ratio’ indices in fragment-based drug discovery Drug Discov ... fruit in drug discovery at protein- protein interfaces Nature 450:1001–1009 Hajduk PJ, Greer J (2007) A decade of fragment-based drug design: strategic advances and lessons learned Nat Rev Drug Discov...

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Computational Methods for Protein Structure Prediction and Modeling Volume 1: Basic Characterization pot

Ngày tải lên : 27/06/2014, 10:20

... of protein structures could lead to both deep and general or broad insights about aspects such as the folding, evolution, and function of proteins, the nature of protein ligand and protein protein ... of protein secondary and tertiary structures, protein docking with small molecules and with macromolecules (i.e., DNA, RNA, and proteins), simulation of dynamic behaviors of proteins, protein structure ... of protein structure comparison and applications, and computational approaches for aligning two protein structures Applications of the structure structure alignment algorithms to protein structure...

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DRUG DISCOVERY AND DEVELOPMENT – PRESENT AND FUTURE pptx

Ngày tải lên : 27/06/2014, 17:20

... drug discovery and development Drug Discovery Today 11: 806-811 [14] Lowe JA, Jones P, Wilson DM (2010) Network biology as a new approach to drug discovery Current Opinion in Drug Discovery and ... These and many other such studies describe the way of incorporation of safety aspect in drug discovery process for Ayurvedic drugs Concept of Drug rediscovery” Contemporary Drug discovery and ... extension of Drug rediscovery from ayurvedic drugs can be done for benefit of contemporary science of medicine and that would be “stage drug discovery based on 16 Drug Discovery and Development...

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báo cáo khoa học: "Structure and expression of the maize (Zea mays L.) SUN-domain protein gene family: evidence for the existence of two divergent classes of SUN proteins in plants" pot

Ngày tải lên : 11/08/2014, 11:21

... AtSUN1 and AtSUN2 firmly establish that these proteins reside in the NE like their animal and fungal counterparts [17-19] SUN-Domain Proteins and Meiotic Chromosome Behavior Some animal and fungal ... SUN-domain protein structures (Figure 3A) are also shown for comparison The SUN-domain proteins of human, mouse, worm, and fission yeast differ in size and number of transmembrane and coiled-coil ... SUN-domain proteins, as represented by the founding members ZmSUN3, ZmSUN4, and ZmSUN5 A summary of the five maize SUN-domain protein genes is provided in Table and the properties and motifs...

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