دانلود مقالات ISI درباره داکت + ترجمه فارسی

Homology modeling, docking, molecular dynamics simulation, and structural analyses of coxsakievirus B3 2A protease: An enzyme involved in the pathogenesis of inflammatory myocarditis

Keywords: داکت; 2Apro; 2A protease; 3D; three-dimensional; CVB3; coxsackievirus B3; ECL; electro-chemiluminescence; eIF4G; eukaryote initiation factor 4-G; HRV2; human rhinovirus; MD; molecular dynamic; 2A proteinase; Characterization; Coxsakievirus B3; Docking; Homology

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

A structural model of the HIV-1 Rev-integrase complex: The molecular basis of integrase regulation by Rev

Keywords: داکت; Modeling; Docking; Peptides; HIV-1; Integrase; Rev; Protein-protein interaction;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

Molecular simulations of Taxawallin I inside classical taxol binding site of β-tubulin

Keywords: داکت; Taxus wallichiana Zucc.; Docking; β-tubulin; Taxoids; Anticancer

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

Synapsin regulation of vesicle organization and functional pools

Keywords: داکت; Reserve pool; Recycling pool; Active zone; Docking; Exocytosis; Endocytosis

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

Structure based discovery of small molecule suppressors targeting bacterial lysozyme inhibitors

Keywords: داکت; Salmonella; PliC; MliC; Pharmacophore; Docking; Drug design; SMPPII

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

Potent and novel 11β-HSD1 inhibitors identified from shape and docking based virtual screening

Keywords: داکت; 11β-HSD1 inhibitor; Virtual screening; Docking; Shape similarity

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

Synthesis and evaluation of indole-based new scaffolds for antimicrobial activities—Identification of promising candidates

Keywords: داکت; Indole derivatives; Antifungal; Antibacterial; Docking

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

Exploration of new scaffolds as potential MAO-A inhibitors using pharmacophore and 3D-QSAR based in silico screening

Keywords: داکت; MAO-A inhibitors; 3D-QSAR; Docking; Pharmacophore; in silico screening

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

CoMFA and CoMSIA studies on 5-hydroxyindole-3-carboxylate derivatives as 5-lipoxygenase inhibitors: Generation of homology model and docking studies

Keywords: داکت; 5-LOX; 3D-QSAR; CoMFA; CoMSIA; Cross validation; Homology modeling; Docking;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Theoretical design of a specific DNA-Zinc-finger protein interaction with semi-empirical quantum chemical methods

Keywords: داکت; Zinc-finger protein; DNA; Docking; Semi-empirical quantum chemical methods; PM6-DH2;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

CYP1A2-mediated biotransformation of cardioactive 2-thienylidene-3,4-methylenedioxybenzoylhydrazine (LASSBio-294) by rat liver microsomes and human recombinant CYP enzymes

Keywords: داکت; Docking; Human isozymes; Cardioactive drug candidate (LASSBio-294); N-Acylhydrazone (NAH); Liver microsome metabolism; 1,3-Benzodioxole; LC-MS-analysis;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2

Keywords: داکت; Protein kinase CK2; Drug target; Inhibitor; Thienopyrimidine; Docking; Organic synthesis;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

β2-Adrenergic activity of 6-methoxykaempferol-3-O-glucoside on rat uterus: In vitro and in silico studies

Keywords: داکت; β2-Adrenoceptor; Radioligand binding assay; cAMP; Homology modelling; Docking; El-hazha

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Molecular modelling studies on Arylthioindoles as potent inhibitors of tubulin polymerization

Keywords: داکت; Tubulin; Colchicine; Arylthioindole; Docking; Molecular dynamics

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

3D QSAR and docking study of flavone derivatives as potent inhibitors of influenza H1N1 virus neuraminidase

Keywords: داکت; 3D QSAR; Docking; Flavone derivatives; Neuraminidase; Inhibitor

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Protein modeling and active site binding mode interactions of myrosinase–sinigrin in Brassica juncea—An in silico approach

Keywords: داکت; Myrosinase; Sinigrin; Brassica juncea; Homology modeling; Docking

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Discovery of novel class 1 phosphatidylinositide 3-kinases (PI3K) fragment inhibitors through structure-based virtual screening

Keywords: داکت; Docking; Fragment-based; Phosphatidylinositide 3-kinase; PI3K; p110β inhibitor; Virtual screening

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Computational investigation of the substrate recognition mechanism of protein d-aspartyl (l-isoaspartyl) O-methyltransferase by docking and molecular dynamics simulation studies and application to interpret size exclusion chromatography data

Keywords: داکت; Protein d-aspartyl (l-isoaspartyl) O-methyltransferase; Molecular dynamics; Docking; β-Aspartic acid; d-Amino acid;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2011 سفارش ترجمه

Applications of the molecular dynamics flexible fitting method

Keywords: داکت; MDFF; Flexible fitting; Cryo-EM; X-ray crystallography; NAMD; VMD; Docking; Hybrid modeling;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Combined docking and molecular dynamics simulations to enlighten the capacity of Pseudomonas cepacia and Candida antarctica lipases to catalyze quercetin acetylation

Keywords: داکت; Lipase specificity; Flavonoid; Acylation; Docking; Molecular dynamics

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Structure-activity relations on [1-(3,5-difluoro-4-hydroxyphenyl)-1H-pyrrol-3-yl]phenylmethanone. The effect of methoxy substitution on aldose reductase inhibitory activity and selectivity

Keywords: داکت; AKR; aldoketoreductase; ALR1; aldehyde reductase; ALR2; aldose reductase; ARI; aldose reductase inhibitor; PKC; protein kinase C; rmsd; root-mean squared deviation; SDH; sorbitol dehydrogenase; Aldose and aldehyde reductase; ARI; Long-term diabetic compli

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Towards more specific O6-methylguanine-DNA methyltransferase (MGMT) inactivators

Keywords: داکت; DNA repair; MGMT; PaTrin2; 5-Nitropyrimidine; Docking;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Isoxazolidinyl polycyclic aromatic hydrocarbons as DNA-intercalating antitumor agents

Keywords: داکت; DNA intercalation; Antitumor agent; Docking; Polycyclic aromatic hydrocarbon; Isoxazolidine; 1,3-Dipolar cycloaddition;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Docking and 3D-QSAR studies on the Ah receptor binding affinities of polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs)

Keywords: داکت; QSAR; Docking; Partial least squares; Polychlorinated biphenyls (PCBs); Dibenzo-p-dioxins (PCDDs); Dibenzofurans (PCDFs)

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Key features for designing M2 proton channel anti swine flu inhibitors

Keywords: داکت; H1N1; M2 proton channel; Docking; Molecular dynamics; Traditional Chinese medicine (TCM)

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Pharmacophore modeling and virtual screening to identify potential RET kinase inhibitors

Keywords: داکت; RET kinase; Pharmacophore; Docking; NCI database; CDOCKER; GOLD; Molecular modeling; Discovery Studio; Goodness of hit (GH) test

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Synthesis and inhibition study of monoamine oxidase, indoleamine 2,3-dioxygenase and tryptophan 2,3-dioxygenase by 3,8-substituted 5H-indeno[1,2-c]pyridazin-5-one derivatives

Keywords: داکت; 5H-indeno[1,2-c]pyridazin-5-one; Monoamine oxidase (MAO); Indoleamine 2,3-dioxygenase (IDO); Tryptophan 2,3-dioxygenase (TDO); Docking; X-ray

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Development of a novel furocoumarin derivative inhibiting NF-κB dependent biological functions: Design, synthesis and biological effects

Keywords: داکت; Furocoumarin; Virtual screening; Docking; Cystic fibrosis; Interleukin-8; TNF-αVS, virtual screening; PSO, psoralen; ANG, angelicin; TMP, 4,5’,8-trimethylpsoralen; TMA, trimethylangelicin; IL-8, interleukin-8; EMSA, electrophoretic mobility shift assay; C

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Design, synthesis and biological study of novel pyrido[2,3-d]pyrimidine as anti-proliferative CDK2 inhibitors

Keywords: داکت; Pyrido[2,3-d]pyrimidine; Pharmacophore; Docking; CDK2; Anti-prolifrative

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Synthesis and SAR optimization of diketo acid pharmacophore for HCV NS5B polymerase inhibition

Keywords: داکت; α,γ-Diketo acid; Pyrophosphate; NS5B polymerase; Docking

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Synthesis, biological evaluation and molecular modeling studies of quinolonyl diketo acid derivatives: New structural insight into the HIV-1 integrase inhibition

Keywords: داکت; Quinolonyl diketo acid; Antiviral activity; HIV-1 IN; Anti-integrase activity; Molecular modeling; Docking

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

Mono-oxime bisquaternary acetylcholinesterase reactivators with prop-1,3-diyl linkage—Preparation, in vitro screening and molecular docking

Keywords: داکت; Acetylcholinesterase; Organophosphate; Reactivation; Oxime; In vitro; Docking

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site

Keywords: داکت; CA; carbonic anhydrase; hCA; human CA; CAI; CA inhibitor; SAR; structure-activity relationship; Carbonic anhydrase; Phenol; Sulfonamide; Dimethoxy-benzene; Phenolic acid; Docking; Enzyme inhibition;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Molecular insights into human monoamine oxidase (MAO) inhibition by 1,4-naphthoquinone: Evidences for menadione (vitamin K3) acting as a competitive and reversible inhibitor of MAO

Keywords: داکت; Monoamine oxidase; 1,4-Naphthoquinone; Menadione; Docking; Flavin;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Identification of new GATA4-small molecule inhibitors by structure-based virtual screening

Keywords: داکت; Docking; Virtual screening; Transcription; GATA; Cell differentiation;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Novel ligands that target the mitochondrial membrane protein mitoNEET

Keywords: داکت; Mitoneet; Autodock; Docking; Fluorescence; Iron-sulfur; Thiazolidinedione;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Molecular modelling and competition binding study of Br-noscapine and colchicine provide insight into noscapinoid-tubulin binding site

Keywords: داکت; Noscapine; Br-noscapine; Colchicine; Binding affinity; Docking; MM-GB/SA;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

In silico analysis of the binding of agonists and blockers to the β2-adrenergic receptor

Keywords: داکت; G protein-coupled receptor; Agonists; Blockers; Induced Fit; Docking; Linear discriminant analysis; Molecular dynamics

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Virtual screening studies on HIV-1 reverse transcriptase inhibitors to design potent leads

Keywords: داکت; HIV-1; Reverse transcriptase inhibitors; 3D-QSAR; Docking; Pharmacophore; HypoGen;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Antidiabetic activity of some pentacyclic acid triterpenoids, role of PTP-1B: In vitro, in silico, and in vivo approaches

Keywords: داکت; Diabetes; Pentacyclic triterpenoids; PTP-1B; Docking; Enzyme inhibition;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Insight into the binding of the wild type and mutated alginate lyase (AlyVI) with its substrate: A computational and experimental study

Keywords: داکت; Alginate lyase; AlyVI; Homology modeling; Docking; Site-directed mutagenesis; MD simulations;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Delineation of an epitope on domain I of Japanese Encephalitis Virus envelope glycoprotein using monoclonal antibodies

Keywords: داکت; Japanese Encephalitis Virus; Monoclonal antibody; Homology modeling; Epitope; Docking; Immunofluorescence assay

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Noncovalent interactions between hydroxylated polycyclic aromatic hydrocarbon and DNA: Molecular docking and QSAR study

Keywords: داکت; PAHs; polycyclic aromatic hydrocarbons; Kb; binding constants; 1-OHNAP; 1-hydroxynaphthalene; 2-OHFLU; 2-hydroxyfluorene; 9-OHFLU; 9-hydroxyfluorene; 2-OHPHE; 2-hydroxyphenanthrene; 3-OHPHE; 3-hydroxyphenanthrene; 4-OHPHE; 4-hydroxyphenanthrene; 9-OHPHE;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Structural determinants of the alpha2 adrenoceptor subtype selectivity

Keywords: داکت; Homology modeling; Docking; GPCR; α2-Adrenergic receptor

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Synthesis and biological evaluation of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles as transforming growth factor-β type 1 receptor kinase inhibitors

Keywords: داکت; TGF-β; ALK5 inhibitor; Fibrosis; Cancer; Kinase assay; Cell-based luciferase reporter assay; Docking

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Drug design for hemagglutinin: Screening and molecular dynamics from traditional Chinese medicine database

Keywords: داکت; H1N1; Influenza virus; Docking; Molecular dynamics; Traditional Chinese medicine (TCM) database;

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

The design and inhibitory profile of new benzimidazole derivatives against triosephosphate isomerase from Trypanosoma cruzi: A problem of residue motility

Keywords: داکت; Docking; Triosephosphate isomerase; Benzimidazole; Homodimeric interface

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2011 سفارش ترجمه

Potential interaction of natural dietary bioactive compounds with COX-2

Keywords: داکت; Inflammation; Enzyme inhibition; Docking; Biological activity

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2011 سفارش ترجمه

Docking-based virtual screening for ligands of G protein-coupled receptors: Not only crystal structures but also in silico models

Keywords: داکت; G protein-coupled receptors; Beta-adrenergic receptors; Virtual screening; Docking; Homology modeling

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2011 سفارش ترجمه

Computational approach to the identification of novel Aurora-A inhibitors

Keywords: داکت; Aurora-A; Anticancer; Docking; Pharmacophore; Virtual screening; Tumor cell; Inhibitor

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2011 سفارش ترجمه