دانلود مقالات ISI درباره داکت + ترجمه فارسی

Synthesis, biological evaluation and in silico studies of 5-(3-methoxybenzylidene)thiazolidine-2,4-dione analogues as PTP1B inhibitors

Keywords: داکت; PTP1B; Diabetes; 5-(3-Methoxybenzylidene)-thiazolidine-2,4-dione; Docking;

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2017 سفارش ترجمه

Hybrids of thienopyrimidinones and thiouracils as anti-tubercular agents: SAR and docking studies

Keywords: داکت; Tuberculosis; Antitubercular activity; Thienopyrimidinone; Thiouracil; Docking;

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2017 سفارش ترجمه

Metal complexes of quinolin-8-yl [(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate: Spectral, XRD, thermal, cytotoxic, molecular docking and biological evaluation

Keywords: داکت; Benzimidazole; Metal complexes; XRD; Thermal; Cytotoxicity; Docking;

دانلود رایگان متن کامل مقاله ISI 26 صفحه سال انتشار : 2017 سفارش ترجمه

GQSAR modeling and combinatorial library generation of 4-phenylquinazoline-2-carboxamide derivatives as antiproliferative agents in human Glioblastoma tumors

Keywords: داکت; GBM; Glioblastoma multiforme; TSPO; translocator protein; MPTP; mitochondrial permeability transition pore; ANT; adenine nucleotide transporter; VDAC; voltage dependent anion channel; QSAR; quantitative structure activity relationship; GQSAR; Group QSAR;

دانلود رایگان متن کامل مقاله ISI 26 صفحه سال انتشار : 2017 سفارش ترجمه

Study of new interactions of glitazone's stereoisomers and the endogenous ligand 15d-PGJ2 on six different PPAR gamma proteins

Keywords: داکت; Pioglitazone (PubChem CID: 4829); Rosiglitazone (PubChem CID: 77999); Troglitazone (PubChem CID: 29010888); 2,4-Thiazolidinedione (PubChem CID: 5437); 15d-PGJ2 (PubChem CID: 5311211); Docking; Molecular dynamics; Pioglitazone; Rosiglitazone; Troglitazone;

دانلود رایگان متن کامل مقاله ISI 26 صفحه سال انتشار : 2017 سفارش ترجمه

Strategic incorporation of fluorine in the drug discovery of new-generation antitubercular agents targeting bacterial cell division protein FtsZ

Keywords: داکت; Mycobacterium tuberculosis; Antibacterial; Fluorine-containing benzimidazoles; FtsZ; Structure-activity relationship; Metabolic and plasma stability; Docking; Molecular modeling;

دانلود رایگان متن کامل مقاله ISI 26 صفحه سال انتشار : 2017 سفارش ترجمه

Development of efficient docking strategies and structure-activity relationship study of the c-Met type II inhibitors

Keywords: داکت; c-Met; Docking; Binding affinity; Conformation; Force field; Computational screening;

دانلود رایگان متن کامل مقاله ISI 26 صفحه سال انتشار : 2017 سفارش ترجمه

Identification of B and T cell epitope based peptide vaccine from IGF-1 receptor in breast cancer

Keywords: داکت; Docking; MHC; Bioinformatics; Peptide vaccine; IGF-1 receptor;

دانلود رایگان متن کامل مقاله ISI 27 صفحه سال انتشار : 2017 سفارش ترجمه

Performance of a docking/molecular dynamics protocol for virtual screening of nutlin-class inhibitors of Mdmx

Keywords: داکت; EF; enrichment factor; FP; fluorescence polarization; LIE; linearized interaction energy; MM/PBSA; molecular mechanics/poisson - Boltzmann surface area; NPT; number, pressure-temperature; NTD; N-terminal transactivation domain; RMSD; root mean square de

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2017 سفارش ترجمه

Structural comparison, docking and substrate interaction study of modeled endo-1, 4-beta xylanase enzyme of Bacillus brevis

Keywords: داکت; Endo-1; 4-Beta xylanase; Docking; Xylopentose; Schrodinger; Interaction;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2017 سفارش ترجمه

Antibacterial activity and mechanism of action of the benzazole acrylonitrile-based compounds: In vitro, spectroscopic, and docking studies

Keywords: داکت; Pyrimidine; Synthesis; Antibacterial; β-lactamase; PBP; Docking;

دانلود رایگان متن کامل مقاله ISI 29 صفحه سال انتشار : 2017 سفارش ترجمه

In search of new α-glucosidase inhibitors: Imidazolylpyrazole derivatives

Keywords: داکت; Imidazolylpyrazoles; α-Glucosidase inhibition; Diabetes; Multicomponent reaction; Docking;

دانلود رایگان متن کامل مقاله ISI 29 صفحه سال انتشار : 2017 سفارش ترجمه

Mutational analysis of microbial hydroxycinnamoyl-CoA hydratase-lyase (HCHL) towards enhancement of binding affinity: A computational approach

Keywords: داکت; Hydroxycinnamoyl-CoA hydratase-lyase (HCHL); Root mean square deviation (RMSD); Root mean square fluctuation (RMSF); Dynamic cross correlation (DCCM); Principal component analysis (PCA); Docking;

دانلود رایگان متن کامل مقاله ISI 29 صفحه سال انتشار : 2017 سفارش ترجمه

Synthesis of indole analogs as potent β-glucuronidase inhibitors

Keywords: داکت; Synthesis; Indole; β-glucuronidase inhibition; Docking;

دانلود رایگان متن کامل مقاله ISI 30 صفحه سال انتشار : 2017 سفارش ترجمه

Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein

Keywords: داکت; Virtual screening; Docking; Tubulin; P-gp;

دانلود رایگان متن کامل مقاله ISI 30 صفحه سال انتشار : 2017 سفارش ترجمه

Exploring the interaction between iron oxide nanoparticles (IONPs) and Human serum albumin (HSA): Spectroscopic and docking studies

Keywords: داکت; Characterization; IONPs; Interaction; Secondary; Docking;

دانلود رایگان متن کامل مقاله ISI 32 صفحه سال انتشار : 2017 سفارش ترجمه

Structure-function studies of BPP-BrachyNH2 and synthetic analogues thereof with Angiotensin I-Converting Enzyme

Keywords: داکت; Docking; Molecular dynamics simulations; Molecular mechanics Poisson-Boltzmann surface area; g_mmpbsa; proline-Rich oligopeptide; Toxicological prediction; ACE; Angiotensin-I converting enzyme; ADT; AutoDock Tools; CC50; Mean cytotoxic concentration; IC50

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2017 سفارش ترجمه

In silico identification of novel antagonists and binding insights by structural and functional analyses of guanylate kinase of Leishmania donovani and interaction with inhibitors

Keywords: داکت; GK; guanylate kinase; VL; visceral leishmaniasis; GMPK; guanosine monophosphate kinase; 5GP; 5′-guanylic acid; GOLD; genetic optimization for ligand docking; CHARMM; chemistry of HARvard molecular mechanics; BLAST; basic local alignment search tool; PDB

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2017 سفارش ترجمه

Sphingosine kinase 1 (SK1) allosteric inhibitors that target the dimerization site

Keywords: داکت; SK; sphingosine kinase; S1P; sphingosine-1-phosphate; PKC-α; protein kinase C alpha; MAPK; mitogen-activated protein kinase; PI3K; phosphatidylinositol kinase; CKII; casein kinase II; EGFR; epidermal growth factor receptor; sphingosine kinase 1; alloster

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2017 سفارش ترجمه

Green synthesis, inhibition studies of yeast α-glucosidase and molecular docking of pyrazolylpyridazine amines

Keywords: داکت; Docking; α-Glucosidase inhibitors; Green chemistry; Nucleophilic substitution; Pyrazolylpyridazine amines;

دانلود رایگان متن کامل مقاله ISI 34 صفحه سال انتشار : 2017 سفارش ترجمه

Synthesis, characterization, antimicrobial screening and in silico studies of Schiff bases derived from trans-para-methoxycinnamaldehyde

Keywords: داکت; Schiff bases; Trans-paramethoxycinnamaldehyde; Docking; Oral bioavailability; Anti-microbial;

دانلود رایگان متن کامل مقاله ISI 34 صفحه سال انتشار : 2017 سفارش ترجمه

Understanding molecular interactions between scavenger receptor A and its natural product inhibitors through molecular modeling studies

Keywords: داکت; SRA; Natural products; Inhibitor; Docking; Molecular dynamics simulation; Binding modes;

دانلود رایگان متن کامل مقاله ISI 35 صفحه سال انتشار : 2017 سفارش ترجمه

Docking, molecular dynamics and free energy studies on aspartoacylase mutations involved in Canavan disease

Keywords: داکت; Neurodegenerative; Canavan; Docking; Molecular dynamics; ASPA; Mutation;

دانلود رایگان متن کامل مقاله ISI 35 صفحه سال انتشار : 2017 سفارش ترجمه

Discovery of nanomolar ligands with novel scaffolds for the histamine H4 receptor by virtual screening

Keywords: داکت; Histamine; Virtual screening; H4 receptor; Homology model; Docking; Drug discovery;

دانلود رایگان متن کامل مقاله ISI 35 صفحه سال انتشار : 2017 سفارش ترجمه

Spectral characterization, CT-DNA binding, DFT/B3LYP, molecular docking and antitumor studies for new nano-sized VO(II)-hydrazonoyl complexes

Keywords: داکت; VO(II) complexes; Docking; DFT; Antitumor and DNA binding;

دانلود رایگان متن کامل مقاله ISI 37 صفحه سال انتشار : 2017 سفارش ترجمه

Can human allergy drug fexofenadine, an antagonist of histamine (H1) receptor, be used to treat dog and cat? Homology modeling, docking and molecular dynamic Simulation of three H1 receptors in complex with fexofenadine

Keywords: داکت; Fexofenadine; Cat and dog histamine H1 receptor; Homology modeling; Docking; Molecular dynamics simulation;

دانلود رایگان متن کامل مقاله ISI 38 صفحه سال انتشار : 2017 سفارش ترجمه

Exploration of cell cycle regulation and modulation of the DNA methylation mechanism of pelargonidin: Insights from the molecular modeling approach

Keywords: داکت; Anthocyanidin; Cell cycle; DNA methylation; Docking; Molecular dynamics;

دانلود رایگان متن کامل مقاله ISI 38 صفحه سال انتشار : 2017 سفارش ترجمه

Synthesis, nematocidal activity and SAR study of novel difluoromethylpyrazole carboxamide derivatives containing flexible alkyl chain moieties

Keywords: داکت; Difluoromethylpyrazole carboxamide; Flexible chain; Nematicidal activity; Docking;

دانلود رایگان متن کامل مقاله ISI 39 صفحه سال انتشار : 2017 سفارش ترجمه

Binding interaction of sodium-N-dodecanoyl sarcosinate with hemoglobin and myoglobin: Physicochemical and spectroscopic studies with molecular docking analysis

Keywords: داکت; Surfactant; Surface tension; Spectroscopy; Fluorescence; Docking;

دانلود رایگان متن کامل مقاله ISI 42 صفحه سال انتشار : 2017 سفارش ترجمه

Quantum chemical calculation (RDG) of molecular structural evaluation, Hirshfeld, DSSC and docking studies of 4-nitrophenylacetic acid

Keywords: داکت; Vibrational spectra; Dye Sensitized Solar Cell; Reduced density gradient; Hirshfeld; Docking;

دانلود رایگان متن کامل مقاله ISI 42 صفحه سال انتشار : 2017 سفارش ترجمه

Spectroscopic investigation, vibrational assignments, Fukui functions, HOMO-LUMO, MEP and molecular docking evaluation of 4 - [(3, 4 - dichlorophenyl) amino] 2 - methylidene 4 - oxo butanoic acid by DFT method

Keywords: داکت; Vibrational assignments; MEP; DSSC; Fukui functions; Docking;

دانلود رایگان متن کامل مقاله ISI 43 صفحه سال انتشار : 2017 سفارش ترجمه

Design, synthesis and biological evaluation of 4,5-dibromo-N-(thiazol-2-yl)-1H-pyrrole-2-carboxamide derivatives as novel DNA gyrase inhibitors

Keywords: داکت; Antibacterial; DNA gyrase; Docking; Inhibitor; Thiazole;

دانلود رایگان متن کامل مقاله ISI 43 صفحه سال انتشار : 2017 سفارش ترجمه

Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations

Keywords: داکت; DFT; Carbomaxide; ALIE; RDF; BDE; Docking;

دانلود رایگان متن کامل مقاله ISI 45 صفحه سال انتشار : 2017 سفارش ترجمه

3D-QSAR and virtual screening studies of thiazolidine-2,4-dione analogs: Validation of experimental inhibitory potencies towards PIM-1 kinase

Keywords: داکت; PIM-1 kinase; Pharmacophore modeling; Thiazolidine-2,4-dione; 3D QSAR; Docking;

دانلود رایگان متن کامل مقاله ISI 45 صفحه سال انتشار : 2017 سفارش ترجمه

DFT calculations on molecular structure, spectral analysis, multiple interactions, reactivity, NLO property and molecular docking study of flavanol-2,4-dinitrophenylhydrazone

Keywords: داکت; 2,4-DNP hydrazone; TD-DFT; HOMO-LUMO; NLO; Docking;

دانلود رایگان متن کامل مقاله ISI 45 صفحه سال انتشار : 2017 سفارش ترجمه

Novel insights into the transport mechanism of the human amino acid transporter LAT1 (SLC7A5). Probing critical residues for substrate translocation

Keywords: داکت; DTE; dithioerythritol; BCH; 2-amino-2-norbornanecarboxylic acid; C12E8; octaethylene glycol monododecyl ether; MTSEA; 2-Aminoethyl methanethiosulfonate hydrobromide; NEM; N-ethylmaleimide; Liposome; Membrane transporter reconstitution; Docking; Recombinan

دانلود رایگان متن کامل مقاله ISI 45 صفحه سال انتشار : 2017 سفارش ترجمه

Investigation of substrate recognition for cytochrome P450 1A2 mediated by water molecules using docking and molecular dynamics simulations

Keywords: داکت; CYP1A2; Docking; Molecular dynamics; Water; Ligand recognition;

دانلود رایگان متن کامل مقاله ISI 46 صفحه سال انتشار : 2017 سفارش ترجمه

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

Keywords: داکت; DFT; Thiourea; ALIE; BDE; RDF; Docking;

دانلود رایگان متن کامل مقاله ISI 48 صفحه سال انتشار : 2017 سفارش ترجمه

Design, synthesis, molecular modeling and anti-hyperglycemic evaluation of novel quinoxaline derivatives as potential PPARγ and SUR agonists

Keywords: داکت; Quinoxaline; PPARγ; Sulfonylurea; Sulfonylthiourea; Docking; Pharmacophore; Anti-hyperglycemic;

دانلود رایگان متن کامل مقاله ISI 48 صفحه سال انتشار : 2017 سفارش ترجمه

Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations

Keywords: داکت; DFT; Thiourea; RDF; ALIE; Optoelectronics; Docking;

دانلود رایگان متن کامل مقاله ISI 49 صفحه سال انتشار : 2017 سفارش ترجمه

Deconstruction - reconstruction approach to analyze the essential structural elements of tetrahydro-3-benzazepine-based antagonists of GluN2B subunit containing NMDA receptors

Keywords: داکت; Tetrahydro-3-benzazepin-1-ols; NMDA receptor; GluN2B selective NMDA receptor ligands; Conformational restriction; N-triflyl protective group; Trifluormethanesulfinate elimination; Lipophilicity; Radioligand receptor binding studies; Docking; Structure aff

دانلود رایگان متن کامل مقاله ISI 50 صفحه سال انتشار : 2017 سفارش ترجمه

MAO enzymes inhibitory activity of new benzimidazole derivatives including hydrazone and propargyl side chains

Keywords: داکت; MAO-A; MAO-B; Amplex red; Benzimidazole; Propargyl; Hydrazone; Docking;

دانلود رایگان متن کامل مقاله ISI 50 صفحه سال انتشار : 2017 سفارش ترجمه

Milk β-casein as a vehicle for delivery of bis(indolyl)methane: Spectroscopy and molecular docking studies

Keywords: داکت; Milk β-casein; Bis(indolyl)methane; Delivery; Anticancer; Spectroscopy; Docking;

دانلود رایگان متن کامل مقاله ISI 52 صفحه سال انتشار : 2017 سفارش ترجمه

Structure-based development of novel triazoles and related thiazolotriazoles as anticancer agents and Cdc25A/B phosphatase inhibitors. Synthesis, in vitro biological evaluation, molecular docking and in silico ADME-T studies

Keywords: داکت; Triazoles; Triazolothiadiazoles; Anticancer; Cdc25 phosphatase; Docking; ADME-T;

دانلود رایگان متن کامل مقاله ISI 55 صفحه سال انتشار : 2017 سفارش ترجمه

Parallel screening of drug-like natural compounds using Caco-2 cell permeability QSAR model with applicability domain, lipophilic ligand efficiency index and shape property: A case study of HIV-1 reverse transcriptase inhibitors

Keywords: داکت; Parallel screening; HIV-1 RT; Docking; QSAR; Natural compounds; Lipophilic ligand efficiency; DAMFIVLRNUMVEJ-UHFFFAOYSA-N;

دانلود رایگان متن کامل مقاله ISI 56 صفحه سال انتشار : 2017 سفارش ترجمه

Phytonanotherapy for management of diabetes using green synthesis nanoparticles

Keywords: داکت; Gold nanoparticle; Antimicrobials; Diabetic; Cancer; Docking; Green synthesis;

دانلود رایگان متن کامل مقاله ISI 58 صفحه سال انتشار : 2017 سفارش ترجمه

Phenylindenone isomers as divergent modulators of p38α MAP kinase

Keywords: داکت; UPXOGJOCYNAIHQ-UHFFFAOYSA-N; RLMKYIPSINLDKX-UHFFFAOYSA-N; MAPK; Kinases; Synthesis; Docking;

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2016 سفارش ترجمه

Role of the phenolic OH moiety of GluN2B-selective NMDA antagonists with 3-benzazepine scaffold

Keywords: داکت; Tetrahydro-3-benzazepin-1-ol; NMDA receptor; GluN2B selective NMDA receptor antagonist; Conformational restriction; N-Triflyl deprotection; Radioligand receptor binding studies; Docking

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2016 سفارش ترجمه

A high affinity phage-displayed peptide as a recognition probe for the detection of Salmonella Typhimurium

Keywords: داکت; Salmonella Typhimurium; Phage display peptide; Lipopolysaccharide; Molecular dynamic studies; Docking

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2016 سفارش ترجمه

Comparative in silico and protein-protein interaction network analysis of ATP1A1 gene

Keywords: داکت; ATP1A1; Bioinformatics; Docking; Gene; String;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2016 سفارش ترجمه