دانلود مقالات ISI درباره داکت + ترجمه فارسی

Carbonic anhydrase inhibitors: Synthesis and inhibition of the human carbonic anhydrase isoforms I, II, IX and XII with benzene sulfonamides incorporating 4- and 3-nitrophthalimide moieties

Keywords: داکت; CA; carbonic anhydrase; hCA; human carbonic anhydrase; CAI; carbonic anhydrase inhibitor; SAR; structure-activity relationship; Zn; zinc; AZM; acetazolamide; MZA; methazolamide; EZA; ethoxzolamide; DCP; dibromophenamide; DZA; dorzolamide; BRZ; brinzolam

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2014 سفارش ترجمه

Molecular modeling and molecular dynamics simulations of GPI 14 in Leishmania major: Insight into the catalytic site for active site directed drug design

Keywords: داکت; CL; cutaneous leishmaniasis; MCL; mucocutaneous leishmaniasis; VL; visceral leishmaniasis; LPG; lipophosphoglycan; GIPLs; glycoinositolphospholipids; GPI; glycosylphosphatidylinositol; iNOS; inducible nitric oxide synthase; NO; nitric oxide; PPG; proteoph

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2014 سفارش ترجمه

An important amino acid in nucleoprotein contributes to influenza A virus replication by interacting with polymerase PB2

Keywords: داکت; Influenza A virus; Nucleoprotein; Replication; Epitope; vRNP complex; Docking; Interaction;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2014 سفارش ترجمه

CoMFA and docking study of 2,N6-disubstituted 1,2-dihydro-1,3,5-triazine-4,6-diamines as novel PfDHFR enzyme inhibitors for antimalarial activity

Keywords: داکت; PfDHFR; 1,3,5-Triazine; CoMFA; Docking

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2014 سفارش ترجمه

Molecular rules for chemo- and regio-selectivity of Candida antarctica lipase B in peptide acylation reactions

Keywords: داکت; C. antarctica lipase B; Peptide acylation; Regio-selectivity; Chemo-selectivity; Docking

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings

Keywords: داکت; SARS-CoV; Severe Acute Respiratory Syndrome coronavirus; 3CLpro; 3 Chymotrypsin-like cysteine protease; MD; molecular dynamics; VS; virtual screening; CSM; computational solvent mapping; ROC; receiver operating characteristic; RMSD; root mean square devia

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Synthesis and evaluation of N-acyl-substituted 1,2-benzisothiazol-3-one derivatives as caspase-3 inhibitors

Keywords: داکت; MIRPJNSLZMOWQE-UHFFFAOYSA-N; QGZFJAMNGXQLQV-UHFFFAOYSA-N; FGXCHOFOCOXOCJ-UHFFFAOYSA-N; KQZXEDILUFRWGM-UHFFFAOYSA-N; DLYWFYKLKHPATQ-UHFFFAOYSA-N; PBRJUWKZXWXZNB-UHFFFAOYSA-N; ZKIZFBPVPUITFA-UHFFFAOYSA-N; KTTPYYAFFJVFFD-UHFFFAOYSA-N; VBLKIMKAYGBRKC-UHFFFAOY

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Ranolazine inhibition of hERG potassium channels: Drug-pore interactions and reduced potency against inactivation mutants

Keywords: داکت; Antiarrhythmic; Docking; hERG; Lidocaine; QT interval; Ranolazine;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity

Keywords: داکت; 1-NP; 1-naphthol; APBS; adaptive Poisson-Boltzmann solver; DBI; Davies-Bouldin index; DMSO; dimethylsulfoxide; EC; extracellular buffer; GAFF; generalized amber force field; hERG; human ether-á-go-go-related K+ ion channel; IC; intracellular buffer;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Synthesis and in silico studies of pyrrolidine sulfonamide based dipeptides as β-gluscosidase inhibitors

Keywords: داکت; β-gluscosidase; Sulfonyl pyrrolidine derivatives; Docking; Gold; Fitness score; β-gluscosidase; Dérivés sulfonyl pyrrolidine; Docking; Gold; Score de fitness;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Evolution of protein interactions: From interactomes to interfaces

Keywords: داکت; Co-evolution; Protein–protein interaction; Interactome; Interface; Computational methods; Bioinformatics; Prediction; Docking

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Newer mixed ligand Schiff base complexes from aquo-N-(2′-hydroxy acetophenone) glycinatocopper(II) as synthon: DFT, antimicrobial activity and molecular docking study

Keywords: داکت; Glycine; Mixed ligand; DFT; Antibacterial; Docking

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Structure-based drug design of small molecule SIRT1 modulators to treat cancer and metabolic disorders

Keywords: داکت; SIRT1 inhibitors; SIRT1 activators; High-through virtual screening; Docking; Cell-cycle analysis; Adipogenesis differentiation

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

A new 9-alkyladenine-cyclic methylglyoxal diadduct activates wt- and F508del-cystic fibrosis transmembrane conductance regulator (CFTR) in vitro and in vivo

Keywords: داکت; Cystic fibrosis; F508del-CFTR; Modulators; Activators; Salivary secretion; Docking; Nucleotide binding domainsCF, cystic fibrosis; CFTR, cystic fibrosis transmembrane conductance regulator; CHO cells, Chinese hamster ovaries cells; CMGD, cyclic methylglyo

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Discovery and molecular modeling of novel 1-indolyl acetate – 5-Nitroimidazole targeting tubulin polymerization as antiproliferative agents

Keywords: داکت; Indolyl acetate; Nitroimidazole; Tubulin; Docking

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Functionalized ferrocenes: The role of the para substituent on the phenoxy pendant group

Keywords: داکت; Ferrocenecarboxylate; MCF-7; MCF-10A; Anti-cancer; Estrogen receptor; Docking

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

DNA binding, docking studies, artificial nuclease activity and in vitro cytotoxicity of newly synthesized steroidal 1H–pyrimidines

Keywords: داکت; Pyrimidine; UV–vis; Fluorescence; Docking; PBR322; Cytotoxicity

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity

Keywords: داکت; Synthesis; Quinoxalines; Antitumor activity; Cyclooxygenase-2; Docking; Protein tyrosine kinase

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Phenyl carbohydrazone conjugated 2-oxoindoline as a new scaffold that augments the DNA and BSA binding affinity and anti-proliferative activity of a 1,10-phenanthroline based copper(II) complex

Keywords: داکت; Isatin; Cu(II) complex; DNA/BSA binding; Docking; Cytotoxicity

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2014 سفارش ترجمه

Information-driven modeling of large macromolecular assemblies using NMR data

Keywords: داکت; Biomolecular complexes; Modeling; Docking; Integrative structural biology; TROSY; Methyl TROSY;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2014 سفارش ترجمه

Computer-aided identification of novel 3,5-substituted rhodanine derivatives with activity against Staphylococcus aureus DNA gyrase

Keywords: داکت; PNP; purine nucleoside phosphorylase; MESG; 2-amino-6-mercapto-7-methylpurine ribose; GLIDE XP; grid-based ligand docking with energetics extra-precision; OPLS; optimized potentials for liquid simulations; SPC water; simple point charge water; NPT ensembl

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2014 سفارش ترجمه

Synthesis and highly potent hypolipidemic activity of alpha-asarone- and fibrate-based 2-acyl and 2-alkyl phenols as HMG-CoA reductase inhibitors

Keywords: داکت; Hypolipidemic; Docking; 2-Acyl phenols; 2-Alkyl phenols; Phenoxyacetic; HMG-CoA reductase;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2014 سفارش ترجمه

Determination of the cationic amphiphilic drug–DNA binding mode and DNA-assisted fluorescence resonance energy transfer amplification

Keywords: داکت; Cationic amphiphilic drugs; Intercalation; Fluorescence energy exchange transfer; DNA damage; Docking

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2014 سفارش ترجمه

Indicine N-oxide binds to tubulin at a distinct site and inhibits the assembly of microtubules: A mechanism for its cytotoxic activity

Keywords: داکت; Indicine N-oxide; Cytotoxic; Antiproliferative; Mitosis; Microtubules; Docking;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2014 سفارش ترجمه

Synthesis of oleanolic acid derivatives: In vitro, in vivo and in silico studies for PTP-1B inhibition

Keywords: داکت; Antidiabetic; Docking; Oleanolic acid derivatives; Pentacyclic acid triterpenes; PTP1B inhibition;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2014 سفارش ترجمه

Synthesis, characterization; DNA binding and antitumor activity of ruthenium(II) polypyridyl complexes

Keywords: داکت; Spectroscopic titrations; DNA-binding; Intercalative; Docking; Comet assay; Phosphate backbone

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2014 سفارش ترجمه

Discovery of potential and selective COX-1 inhibitory leads using pharmacophore modelling, in silico screening and in vitro evaluation

Keywords: داکت; COX; 3D QSAR; MM-GBSA; Docking; PHASE; Decoy

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2014 سفارش ترجمه

Discovery of high affinity ligands for β2-adrenergic receptor through pharmacophore-based high-throughput virtual screening and docking

Keywords: داکت; Virtual screening; Pharmacophore modeling; β2-Adrenergic receptor; Docking; Scoring

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2014 سفارش ترجمه

Selective COX-1 inhibition as a target of theranostic novel diarylisoxazoles

Keywords: داکت; Cyclooxygenase(COX)-1 inhibitors; Diarylisoxazole scaffold; Docking; Diagnostic probes; OVCAR-3 cell line; Ovarian cancer; MEEQMSFMUXWSIT-UHFFFAOYSA-N; WTCKSPVFQVUTAT-UHFFFAOYSA-N; BKAYRHCXLLKHPX-UHFFFAOYSA-N; TWDJKFQSGJJFPL-UHFFFAOYSA-N; IPAVFMUBTIUYBW-U

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2014 سفارش ترجمه

Prediction of binding affinity and efficacy of thyroid hormone receptor ligands using QSAR and structure-based modeling methods

Keywords: داکت; AD; applicability domain; AUC; area under the curve; T3; 3,5,3′-Triiodo-l-thyronine; THR; thyroid hormone receptor; EDCs; endocrine disrupting chemicals; EF; enrichment factor; EPA; US Environmental Protection Agency; PDB; Protein Data Bank; QSAR; Quant

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2014 سفارش ترجمه

Synthesis and biological evaluation of tetrahydro[1,4]diazepino[1,2-a]indol-1-ones as cyclin-dependent kinase inhibitors

Keywords: داکت; CDK; GSK-3; Kinase; Inhibitor; Indole; Iodolactonisation; Docking

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2014 سفارش ترجمه

Water soluble molybdenocene complexes: Synthesis, cytotoxic activity and binding studies to ubiquitin by fluorescence spectroscopy, circular dichroism and molecular modeling

Keywords: داکت; Molybdenocene; Anti-cancer drug; MCF-7; HT-29; Docking

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2014 سفارش ترجمه

Structure-based design, synthesis and biological testing of etoposide analog epipodophyllotoxin-N-mustard hybrid compounds designed to covalently bind to topoisomerase II and DNA

Keywords: داکت; Boc2O; di-tert-butyl dicarbonate; CHO; Chinese hamster ovary; Et3N; triethylamine; EtOAc; ethyl acetate; HOBt; (1-hydroxybenzotriazole); ICE; immunodetection of complexes of enzyme-to-DNA; K562 cells; human erythroleukemic cells; kDNA; catenated DNA; MTS;

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2014 سفارش ترجمه

Synthesis and biological evaluation of 7H-thiazolo[3,2-b]-1,2,4-triazin-7-one derivatives as dual binding site acetylcholinesterase inhibitors

Keywords: داکت; Acetylcholinesterase; Synthesis; Inhibitors; Docking; Alzheimer's disease;

دانلود رایگان متن کامل مقاله ISI 20 صفحه سال انتشار : 2014 سفارش ترجمه

Benzimidazoles diminish ERE transcriptional activity and cell growth in breast cancer cells

Keywords: داکت; DMEM; Dulbecco's modified Eagle's media; E2; 17β-estradiol; ER; estrogen receptor; ERE; estrogen responsive element; MOE; molecular operating environment; MEM; minimum essential medium; PgR; progesterone receptor; Breast cancer; Estrogen receptors; D

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2014 سفارش ترجمه

Recent advances in small organic molecules as DNA intercalating agents: Synthesis, activity, and modeling

Keywords: داکت; DNA intercalators; Drug discovery; Docking; Molecular modeling; Anticancer agents; Cancer chemotherapy;

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2014 سفارش ترجمه

AlgoGen: A tool coupling a linear-scaling quantum method with a genetic algorithm for exploring non-covalent interactions

Keywords: داکت; AlgoGen; Genetic algorithm; NCI; Linear-scaling; Docking; Semi-empirical quantum method;

دانلود رایگان متن کامل مقاله ISI 30 صفحه سال انتشار : 2014 سفارش ترجمه

Design, synthesis and SAR exploration of tri-substituted 1,2,4-triazoles as inhibitors of the annexin A2-S100A10 protein interaction

Keywords: داکت; S100 proteins; Annexins; Docking; Triazole;

دانلود رایگان متن کامل مقاله ISI 53 صفحه سال انتشار : 2014 سفارش ترجمه

Identification of novel PTP1B inhibitors by pharmacophore based virtual screening, scaffold hopping and docking

Keywords: داکت; PTP1B inhibitors; Pharmacophore modeling; Scaffold hopping; Docking; Synthesis and biological activity; PTP1B; protein tyrosine phosphatise-1B; QSAR; quantitative structure activity relationship; PBVS; pharmacophore based virtual screening; SAR; structure

دانلود رایگان متن کامل مقاله ISI 101 صفحه سال انتشار : 2014 سفارش ترجمه

Inhibition of tumor-associated human carbonic anhydrase isozymes IX and XII by a new class of substituted-phenylacetamido aromatic sulfonamides

Keywords: داکت; Carbonic anhydrases; Cytosolic isoforms I and II; Tumor-associated isoforms IX and XII; Sulfonamides; Docking;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2013 سفارش ترجمه

3-Hydroxyisoflavanones from the stem bark of Dalbergia melanoxylon: Isolation, antimycobacterial evaluation and molecular docking studies

Keywords: داکت; Dalbergia melanoxylon; 3-Hydroxyisoflavanone; Kenusanone F 7-methyl ether; Sophoronol-7-methyl ether; Mycobacterium tuberculosis; Docking;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2013 سفارش ترجمه

N-1, C-3 substituted indoles as 5-LOX inhibitors-In vitro enzyme immunoaasay, mass spectral and molecular docking investigations

Keywords: داکت; 5-Lipoxygenase; Indole derivatives; Inhibitors; Mass spectra; Docking;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2013 سفارش ترجمه

H-bond refinement for electron transfer membrane-bound protein-protein complexes: Cytochrome c oxidase and cytochrome c552

Keywords: داکت; Cytochrome c; Docking; Membrane; DPPC; Protein-protein; Molecular dynamics;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2013 سفارش ترجمه

Pharmacological properties and predicted binding mode of arylmethylene quinuclidine-like derivatives at the α3β4 nicotinic acetylcholine receptor (nAChR)

Keywords: داکت; ACHBP; acetylcholine-binding protein; Ach; acetylcholine; CNS; central nervous system; MEC; minimum-effective concentration; nAChR; nicotinic acetylcholine receptor; NIC; nicotine; Pdb; protein databank; rmsd; root-mean-squared-deviation; ROC; receiver op

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2013 سفارش ترجمه

De novo design of novel DNA-gyrase inhibitors based on 2D molecular fingerprints

Keywords: داکت; Molecular fingerprint; DNA-gyrase inhibitor; De novo drug design; Docking; Pharmacophore;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2013 سفارش ترجمه

Identification of novel SIRT3 inhibitor scaffolds by virtual screening

Keywords: داکت; SIRT3; Inhibitor scaffold; Virtual screening; Shape matching; Docking;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2013 سفارش ترجمه

Structural modelling of substrate binding and inhibition in penicillin V acylase from Pectobacterium atrosepticum

Keywords: داکت; Penicillin acylase; Bile salt hydrolase; Homology modelling; Inhibition; Pectobacterium; Docking;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2013 سفارش ترجمه

Diameter-selective dispersion of carbon nanotubes by β-lactoglobulin whey protein

Keywords: داکت; Dispersion; Carbon nanotubes; Surface curvature; Docking; Cryo-TEM;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2013 سفارش ترجمه

Ligand interaction, binding site and G protein activation of the mu opioid receptor

Keywords: داکت; Mu opioid receptor; G protein activation; Structure; Function; Docking; Binding site;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2013 سفارش ترجمه

Evaluation of molecular model-based discovery of ecto-5′-nucleotidase inhibitors on the basis of X-ray structures

Keywords: داکت; Ecto-5′-nucleotidase; Small molecule inhibitors; Docking; Virtual screening; Comparative protein models; X-ray structures;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2013 سفارش ترجمه