دانلود مقالات ISI درباره داکت + ترجمه فارسی

Oenothera rosea L´Hér. ex Ait attenuates acute colonic inflammation in TNBS-induced colitis model in rats: in vivo and in silico myeloperoxidase role

Keywords: داکت; Oenothera rosea; Anti-inflammatory; Inflammatory bowel disease; TNBS; Myeloperoxidase; Docking;

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2018 سفارش ترجمه

Design and screening of syringic acid analogues as BAX activators-An in silico approach to discover “BH3 mimetics”

Keywords: داکت; Apoptosis; BAM-7; Syringic acid; Docking; Mutation; ProSA-web;

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2018 سفارش ترجمه

Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid

Keywords: داکت; Vibrational spectra; Dye sensitized solar cell; Reduced density gradient; Fukui function; Docking;

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2018 سفارش ترجمه

Novel series of 6-(2-substitutedacetamido)-4-anilinoquinazolines as EGFR-ERK signal transduction inhibitors in MCF-7 breast cancer cells

Keywords: داکت; Anilinoquinazolines; ERK; EGFR; Synthesis; Docking;

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2018 سفارش ترجمه

A DFT study of inclusion complexes of substituted calix[n]arenes with dasatinib and lapatinib

Keywords: داکت; Docking; Density functional theory; Tyrosine kinases; Host-guest; Bioavailability;

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2018 سفارش ترجمه

Synthesis, anti-inflammatory screening, molecular docking, and COX-1,2/-5-LOX inhibition profile of some novel quinoline derivatives

Keywords: داکت; Quinoline; Pyrazole; Anti-inflammatory; COX; 5-LOX; Docking;

دانلود رایگان متن کامل مقاله ISI 16 صفحه سال انتشار : 2018 سفارش ترجمه

Transcriptional analysis and molecular dynamics simulations reveal the mechanism of toxic metals removal and efflux pumps in Lysinibacillus sphaericus OT4b.31

Keywords: داکت; Lysinibacillus sphaericus; Efflux pumps; Lead; Chromium; RT-qPCR; Docking;

دانلود رایگان متن کامل مقاله ISI 16 صفحه سال انتشار : 2018 سفارش ترجمه

Synthesis, anticancer activity and docking studies of N-phenyl-2-(2-((4-phenyl piperazin-1-yl) methyl)-1H-benzo [d] imidazol-1-yl) acetamides

Keywords: داکت; o-phenylene diamine; Phenyl piperazines; Acid-amide coupling; Anticancer activity; Docking;

دانلود رایگان متن کامل مقاله ISI 17 صفحه سال انتشار : 2018 سفارش ترجمه

Tautomeric preferences of the cis and trans isomers of axitinib

Keywords: داکت; Axitinib; Conformer; DFT; Hydration effects; Isomer; Tautomer; Docking; Ligand; Receptor;

دانلود رایگان متن کامل مقاله ISI 18 صفحه سال انتشار : 2018 سفارش ترجمه

Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

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

دانلود رایگان متن کامل مقاله ISI 20 صفحه سال انتشار : 2018 سفارش ترجمه

Computational study of molecular electrostatic potential, docking and dynamics simulations of gallic acid derivatives as ABL inhibitors

Keywords: داکت; Docking; MESP; Gallic acid derivatives; 1,3,4-Oxadiazole; CML;

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2018 سفارش ترجمه

GC-MS and molecular docking studies of Hunteria umbellata methanolic extract as a potent anti-diabetic

Keywords: داکت; Diabetes mellitus; Hunteria umbellata; 2,2-Benzylidenebis(3-methylbenzofuran); Docking; Gas chromatography-mass spectrometry (GC-MS); Peroxisome proliferator-activated; Receptor gamma;

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2018 سفارش ترجمه

Design, synthesis and anticancer evaluation of 1H-pyrazolo[3,4-d]pyrimidine derivatives as potent EGFRWT and EGFRT790M inhibitors and apoptosis inducers

Keywords: داکت; Anticancer; EGFR-TKIs; Docking; NSCLC; 1H-Pyrazolo[3,4-d]pyrimidine; EGFRWT; EGFRT790M;

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2018 سفارش ترجمه

Tyr120Asp mutation alters domain flexibility and dynamics of MeCP2 DNA binding domain leading to impaired DNA interaction: Atomistic characterization of a Rett syndrome causing mutation

Keywords: داکت; MeCP2 Methyl-CpG-binding protein 2; Rett syndrome; Molecular dynamics simulation; Docking; DNA binging domain; Rett causing mutation;

دانلود رایگان متن کامل مقاله ISI 22 صفحه سال انتشار : 2018 سفارش ترجمه

Silver nanoparticles conjugated with Neurotrophin 3 upregulate myelin gene transcription pathway

Keywords: داکت; Docking; Myelination; Modeling; Neurotrophin; Silver nanoparticles;

دانلود رایگان متن کامل مقاله ISI 23 صفحه سال انتشار : 2018 سفارش ترجمه

Revealing the molecular interactions of aptamers that specifically bind to the extracellular domain of HER2 cancer biomarker protein: An in silico assessment

Keywords: داکت; Aptamers; Cancer therapeutics; Cancer diagnostics; HER2; In silico; Docking; MD simulations; SELEX;

دانلود رایگان متن کامل مقاله ISI 24 صفحه سال انتشار : 2018 سفارش ترجمه

Designing a new multifunctional peptide for metal chelation and Aβ inhibition

Keywords: داکت; Alzheimer's disease (AD); Amyloid beta (Aβ); Metal chelation; Quantum mechanics (QM); Docking; Molecular dynamics (MD);

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2018 سفارش ترجمه

Molecular modeling and docking of recombinant HAP-phytase of a thermophilic mould Sporotrichum thermophile reveals insights into molecular catalysis and biochemical properties

Keywords: داکت; Sporotrichum thermophile; Phytase; Molecular modeling; Docking; Inhibitors; Peroxidase;

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2018 سفارش ترجمه

Sphingolipids modulate docking, Ca2+ sensitivity and membrane fusion of native cortical vesicles

Keywords: داکت; α-NP; α-naphthyl-phosphate; CB; cerebrosides; DMS; dimethylsphingosine; FFM; fundamental fusion mechanism; Fin; fingolimod; PFM; physiological fusion machine; PMA; phorbol 12-myristate 13-acetate; Sph; sphingosine; S1P; sphingosine-1-phosphate; SphK; sp

دانلود رایگان متن کامل مقاله ISI 26 صفحه سال انتشار : 2018 سفارش ترجمه

Mutational analysis of phenolic acid decarboxylase from Enterobacter sp. Px6-4. towards enhancement of binding affinity: A computational approach

Keywords: داکت; Ferulic acid decarboxylase; 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 26 صفحه سال انتشار : 2018 سفارش ترجمه

Development of antiviral inhibitor against dengue 2 targeting Ns3 protein: In vitro and in silico significant studies

Keywords: داکت; Dengue ; Thiosemicarbazones; Antiviral; Docking; Plaque assay;

دانلود رایگان متن کامل مقاله ISI 27 صفحه سال انتشار : 2018 سفارش ترجمه

Computational insight into the phthalocyanine-DNA binding via docking and molecular dynamics simulations

Keywords: داکت; Docking; Binding affinity; Drug design; Molecular modelling; Autodock Vina; Molegro Virtual Docker;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2018 سفارش ترجمه

Molecular modelling and dynamic simulation of UDP-N-acetylglucosamine 1-carboxyvinyltransferase (MurA) from Mycobacterium tuberculosis using in silico approach

Keywords: داکت; MurA; Homology modelling; Docking; MTB; MD simulation and MM-GBSA;

دانلود رایگان متن کامل مقاله ISI 29 صفحه سال انتشار : 2018 سفارش ترجمه

Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligands

Keywords: داکت; Copper complexes; Thiourea; DNA gyrase; FTIR; Docking;

دانلود رایگان متن کامل مقاله ISI 29 صفحه سال انتشار : 2018 سفارش ترجمه

Understanding the role of glucose regulated protein 170 (GRP170) as a nucleotide exchange factor through molecular simulations

Keywords: داکت; GRP170; ORP150; Nucleotide binding; Homology modeling; Docking; Nucleotide exchange factor (NEF);

دانلود رایگان متن کامل مقاله ISI 32 صفحه سال انتشار : 2018 سفارش ترجمه

Design, synthesis and molecular modeling studies of new series of antitumor 1,2,4-triazines with potential c-Met kinase inhibitory activity

Keywords: داکت; 1,2,4-Triazines; c-Met kinase inhibitors; Antitumor evaluation; Docking;

دانلود رایگان متن کامل مقاله ISI 32 صفحه سال انتشار : 2018 سفارش ترجمه

Organotin(IV) compounds derived from ibuprofen and cinnamic acids, an alternative into design of anti-inflammatory by the cyclooxygenases (COX-1 and COX-2) pathway

Keywords: داکت; Stannoxanes; Ibuprofen; Coordination; DFT; Docking; Cyclooxygenase;

دانلود رایگان متن کامل مقاله ISI 32 صفحه سال انتشار : 2018 سفارش ترجمه

Putative dual inhibitors of Janus kinase 1 and 3 (JAK1/3): Pharmacophore based hierarchical virtual screening

Keywords: داکت; Autoimmune disorder; Docking; Janus kinase 1; Janus kinase 3; Pharmacophore; Prime MM/GBSA;

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2018 سفارش ترجمه

Activity-based classification circumvents affinity prediction problems for pyrrolidine carboxamide inhibitors of InhA

Keywords: داکت; Docking; Scoring; Molecular dynamics simulations; Linear interaction energy (LIE) analysis; Logistic regression; Mycobacterial enoyl-acyl carrier protein reductase;

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2018 سفارش ترجمه

Focused library design and synthesis of 2-mercapto benzothiazole linked 1,2,4-oxadiazoles as COX-2/5-LOX inhibitors

Keywords: داکت; 1,2,4-Oxadiazole; Design; Docking; COX-2; 5-LOX; Anti-inflammatory; Anti-oxidant;

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2018 سفارش ترجمه

Rhodium(III) in a cage of the 1,3-propanediamine-N,N,N′-triacetate chelate: X-ray structure, solution equilibria, computational study and biological behavior

Keywords: داکت; Rhodium(III) complexes; Aminopolycarboxylates; Stability constants; Docking; Antiproliferation;

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2018 سفارش ترجمه

A novel water-soluble tetranuclear copper (II) Schiff base cluster bridged by 2, 6-bis-[(2-hydroxyethylimino)methyl]-4-methylphenol in interaction with BSA: Synthesis, X-ray crystallography, docking and cytotoxicity studies

Keywords: داکت; Tetranuclear copper (II) Schiff base complex; Bovine serum albumin; Docking; Cytotoxicity;

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2018 سفارش ترجمه

Novel cyclo-peptides inhibit Ebola pseudotyped virus entry by targeting primed GP protein

Keywords: داکت; Ebola virus; Primed GP; Entry inhibitor; Antiviral screening; BLI; Docking; EBOV; Ebola virus; GPcl; primed EBOV glycoprotein; NPC1; Niemann-Pick C1; IC50; 50% inhibitory concentration; BLI; Bio-layer Interferometry; MD; molecular dynamic; MM/GBSA; Molecu

دانلود رایگان متن کامل مقاله ISI 34 صفحه سال انتشار : 2018 سفارش ترجمه

1,2,4-Triazole-based benzothiazole/benzoxazole derivatives: Design, synthesis, p38α MAP kinase inhibition, anti-inflammatory activity and molecular docking studies

Keywords: داکت; Benzoxazole; p38α MAP kinase; Docking; Anti-inflammatory; Ulcerogenicity;

دانلود رایگان متن کامل مقاله ISI 35 صفحه سال انتشار : 2018 سفارش ترجمه

Association and in silico studies of ENPP1 gene variants with type 2 diabetes mellitus in a Northern Iranian population

Keywords: داکت; DM; diabetes mellitus; T2DM; type 2 diabetes mellitus; GWAS; genome-wide association studies; SNP; single nucleotide polymorphism; ENPP1; ectonucleotide pyrophosphatase/phosphodiesterase 1; UTR; Untranslated Region; K; lysine; Q; glutamine; ATP; Adenosine

دانلود رایگان متن کامل مقاله ISI 35 صفحه سال انتشار : 2018 سفارش ترجمه

Targeting a hidden site on class A beta-lactamases

Keywords: داکت; Beta-lactamase; Inhibition; Allostery; CYMAL-6; Docking; Virtual screening;

دانلود رایگان متن کامل مقاله ISI 36 صفحه سال انتشار : 2018 سفارش ترجمه

Combined spectroscopic, DFT, TD-DFT and MD study of newly synthesized thiourea derivative

Keywords: داکت; Thiourea derivative; DFT; Local ionization energies (ALIE); Radial distribution functions (RDFs); Bond dissociation energies (BDE); Docking;

دانلود رایگان متن کامل مقاله ISI 37 صفحه سال انتشار : 2018 سفارش ترجمه

Novel investigation of the performance of continuous packed bed bioreactor (CPBBR) by isolated Bacillus sp. M4 and proteomic study

Keywords: داکت; Benzene; MALDI-TOF MS/MS; Proteomics; FT-IR; CPBBR; Docking;

دانلود رایگان متن کامل مقاله ISI 38 صفحه سال انتشار : 2018 سفارش ترجمه

Helicoverpa-inducible Thioredoxin h from Cicer arietinum: structural modeling and potential targets

Keywords: داکت; Herbivory; Chickpea; Thioredoxin h; Redox regulation; Comparative modeling; Docking;

دانلود رایگان متن کامل مقاله ISI 38 صفحه سال انتشار : 2018 سفارش ترجمه

Design, synthesis and anticancer evaluation of novel spirobenzo[h]chromene and spirochromane derivatives with dual EGFR and B-RAF inhibitory activities

Keywords: داکت; Spirobenzo[h]chromene; Spirochromane; B-RAF; EGFR; Docking; Anticancer agents;

دانلود رایگان متن کامل مقاله ISI 39 صفحه سال انتشار : 2018 سفارش ترجمه

A novel in silico minigene vaccine based on CD4+ T-helper and B-cell epitopes of EG95 isolates for vaccination against cystic echinococcosis

Keywords: داکت; HC; hydatid cyst; PSC; protoscolex; CE; cystic echinococcosis; MPMV; multi-potent minigene vaccine; VCA; vaccine candidate antigen; EBV; epitope-based vaccine; BE; B-cell epitope; TE; T-cell epitope; MHC; major histocompatibility; Ag; antigen; Ab; antibod

دانلود رایگان متن کامل مقاله ISI 39 صفحه سال انتشار : 2018 سفارش ترجمه

A novel approach of virulome based reverse vaccinology for exploring and validating peptide-based vaccine candidates against the most troublesome nosocomial pathogen: Acinetobacter baumannii

Keywords: داکت; A. baumannii; Vaccine; Epitope; Conservation; Docking;

دانلود رایگان متن کامل مقاله ISI 39 صفحه سال انتشار : 2018 سفارش ترجمه

Molecular docking and in vitro studies of soap nut trypsin inhibitor (SNTI) against phospholipase A2 isoforms in therapeutic intervention of inflammatory diseases

Keywords: داکت; PLA2; Allelochemicals; SNTI; Homology modeling; Docking; Protein interaction; sPLA2;

دانلود رایگان متن کامل مقاله ISI 39 صفحه سال انتشار : 2018 سفارش ترجمه

Computational elucidation of novel antagonists and binding insights by structural and functional analyses of serine hydroxymethyltransferase and interaction with inhibitors

Keywords: داکت; SHMT; Serine hydroxymethyltransferase; Ld; Leishmania donovani; PLP; Pyridoxal phosphate; THF; Tetrahydrofolate; TS; Thymidylate synthase; PDB; Protein Data Bank; NCBI; National Center for Biotechnology Information; DOPE; Discrete optimized protein energy

دانلود رایگان متن کامل مقاله ISI 40 صفحه سال انتشار : 2018 سفارش ترجمه

Integrated in silico-in vitro strategy for screening of some traditional Egyptian plants for human aromatase inhibitors

Keywords: داکت; Aromatase inhibitors; Traditional Egyptian plants; Docking; Pharmacophore modelling; Structure-based and ligand-based virtual screening;

دانلود رایگان متن کامل مقاله ISI 40 صفحه سال انتشار : 2018 سفارش ترجمه

In silico analysis of cytochrome P450 monooxygenases in chronic granulomatous infectious fungus Sporothrix schenckii: Special focus on CYP51

Keywords: داکت; P450; Cytochrome P450 monooxygenase; PDP; P450 diversity percentage; HAP; Human and animal pathogen; AP; Animal pathogen; PP; Plant pathogen; HP; Human pathogen; HIV; Human Immunodeficiency Virus; P450; Genome data mining; Homology modeling; Docking; Muta

دانلود رایگان متن کامل مقاله ISI 40 صفحه سال انتشار : 2018 سفارش ترجمه

Reverse screening on indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent

Keywords: داکت; Phytochemicals; Indicaxanthin; Neuromodulator; Anti-inflammatory agent; Anti-cancer; Reverse screening; Pharmacophore modeling; Docking; Molecular dynamics; MM-GBSA;

دانلود رایگان متن کامل مقاله ISI 41 صفحه سال انتشار : 2018 سفارش ترجمه

Quantum mechanical, spectroscopic study (FT-IR and FT - Raman), NBO analysis, HOMO-LUMO, first order hyperpolarizability and docking studies of a non-steroidal anti-inflammatory compound

Keywords: داکت; DFT; FTIR; FT-Raman; NBO; NLO; MEP; HOMO-LUMO; Docking;

دانلود رایگان متن کامل مقاله ISI 41 صفحه سال انتشار : 2018 سفارش ترجمه

Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies

Keywords: داکت; DFT; Quinoline; MD; Docking; ALIE; RDF;

دانلود رایگان متن کامل مقاله ISI 41 صفحه سال انتشار : 2018 سفارش ترجمه

Subtractive proteomics and immunoinformatics revealed novel B-cell derived T-cell epitopes against Yersinia enterocolitica: An etiological agent of Yersiniosis

Keywords: داکت; Y. enterocolitica; Vaccine; Epitopes; Conservation; Docking;

دانلود رایگان متن کامل مقاله ISI 42 صفحه سال انتشار : 2018 سفارش ترجمه