دانلود مقالات ISI درباره داکت + ترجمه فارسی

Synthesis, characterization and in silico designing of diethyl-3-methyl-5-(6-methyl-2-thioxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxamido) thiophene-2,4-dicarboxylate derivative as anti-proliferative and anti-microbial agents

Keywords: داکت; Docking; Pyrimidine; ADME; Anti-proliferative; Anti-microbial;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2016 سفارش ترجمه

Computational insights into the protonation states of catalytic dyad in BACE1-acyl guanidine based inhibitor complex

Keywords: داکت; BACE-1; β-secretase; Molecular dynamics; DFT; Protonation state; Docking;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2016 سفارش ترجمه

Synthesis, in vitro evaluation, and molecular modeling investigation of benzenesulfonimide peroxisome proliferator-activated receptors α antagonists

Keywords: داکت; PPARs; PPAR antagonist; Transactivation assay; Benzenesulfonimides; CPT1A; Fibrates; Docking; Molecular dynamic

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2016 سفارش ترجمه

7TM X-ray structures for class C GPCRs as new drug-discovery tools. 1. mGluR5

Keywords: داکت; Structure-based drug design; Computer-aided drug discovery; Metabotropic glutamate receptors (mGluRs); Mavoglurant; Docking; X-ray structure; Negative allosteric modulators (NAMs); Positive allosteric modulators (PAMs);

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2016 سفارش ترجمه

Computer-aided drug design guided by hydrogen/deuterium exchange mass spectrometry: A powerful combination for the development of potent and selective inhibitors of Group VIA calcium-independent phospholipase A2

Keywords: داکت; Phospholipase A2; Trifluoromethylketones; Thioether; DXMS; Docking; MD simulations; Structure-activity relationship;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2016 سفارش ترجمه

LOX1 inhibition with small molecules

Keywords: داکت; Lipoxygenases; Inhibition; Iridoids; Pharmacophore; Docking

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2016 سفارش ترجمه

A multilayer screening approach toward the discovery of novel Pf-DHFR inhibitors

Keywords: داکت; Contact footprint; Docking; Size normalization; Re-ranking; MolDock

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2016 سفارش ترجمه

FMS-like tyrosine kinase 3 (FLT3) inhibitors: Molecular docking and experimental studies

Keywords: داکت; Imatinib (PubChem CID: 5291); Dasatinib (PubChem CID: 3062316); Sunitinib (PubChem CID: 5329102); PKC412 (PubChem CID: 9829523); CEP701 (PubChem CID: 126565)FLT3; Docking; GOLD; Cell proliferation inhibition; Autophosphorylation inhibition; Small molecule

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2016 سفارش ترجمه

Drug design, synthesis, in vitro and in silico evaluation of selective monoaminoxidase B inhibitors based on 3-acetyl-2-dichlorophenyl-5-aryl-2,3-dihydro-1,3,4-oxadiazole chemical scaffold

Keywords: داکت; 2,3-Dihydro-1,3,4-oxadiazoles; Neurodegenerative disorders; MAO-B; Docking; Molecular dynamics;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2016 سفارش ترجمه

Identification of phenoxyacetamide derivatives as novel DOT1L inhibitors via docking screening and molecular dynamics simulation

Keywords: داکت; DOT1L inhibitor; Virtual screening; Docking; Molecular dynamic simulation; Binding free energy

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2016 سفارش ترجمه

Molecular docking studies and synthesis of novel bisbenzimidazole derivatives as inhibitors of α-glucosidase

Keywords: داکت; Bisbenzimidazole; Microwave; Docking; α-Glucosidase;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2016 سفارش ترجمه

Toluene promotes lid 2 interfacial activation of cold active solvent tolerant lipase from Pseudomonas fluorescens strain AMS8

Keywords: داکت; Cold-active lipase AMS8; Interfacial activation; Organic solvents; Protein stability; Molecular dynamic; Docking

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2016 سفارش ترجمه

Design and synthesis of novel protein kinase CK2 inhibitors on the base of 4-aminothieno[2,3-d]pyrimidines

Keywords: داکت; Protein kinase CK2; Inhibitor; Aminothieno[2,3-d]pyrimidine; Drug design; Docking; Intramolecular hydrogen bond

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2016 سفارش ترجمه

Development of a potent 2-oxoamide inhibitor of secreted phospholipase A2 guided by molecular docking calculations and molecular dynamics simulations

Keywords: داکت; Docking; Inhibitors; Molecular dynamics; 2-Oxoamides; Secreted phospholipase A2

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2016 سفارش ترجمه

3D pharmacophore-based virtual screening, docking and density functional theory approach towards the discovery of novel human epidermal growth factor receptor-2 (HER2) inhibitors

Keywords: داکت; Pharmacophore model; HER2; ADMET; Docking; DFT

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2016 سفارش ترجمه

Insights into RpoB clinical mutants in mediating rifampicin resistance in Mycobacterium tuberculosis

Keywords: داکت; Mycobacterium tuberculosis; RIF resistance; RpoB; Mutants; Molecular modeling; Docking; Dynamics

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2016 سفارش ترجمه

Evaluation of selected 3D virtual screening tools for the prospective identification of peroxisome proliferator-activated receptor (PPAR) γ partial agonists

Keywords: داکت; Method comparison; Docking; Pharmacophore modeling; Shape-based modeling; 2D-similarity based search; Peroxisome proliferator-activated gamma partial agonists; A; anion; Acc; accuracy; Ar; aromatic feature; AUC; area under the curve; C; cation; DMEM; Dulb

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2016 سفارش ترجمه

Design, synthesis, cytotoxicity, HuTopoIIα inhibitory activity and molecular docking studies of pyrazole derivatives as potential anticancer agents

Keywords: داکت; Pyrazole; Claisen-Schmidt condensation; Michael addition; Cytotoxicity; Topoisomerase; Docking;

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2016 سفارش ترجمه

Design, synthesis, molecular modeling and biological evaluation of novel 1H-pyrazolo[3,4-b]pyridine derivatives as potential anticancer agents

Keywords: داکت; Anticancer; DNA binding; 1H-pyrazolo[3,4-b]pyridine; Docking

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2016 سفارش ترجمه

The antiproliferative and proapoptotic effects of cladosporols A and B are related to their different binding mode as PPARγ ligands

Keywords: داکت; CAD; caspase-activated deoxyribonuclease; CRC; colorectal cancer; HR-ESI-MS; high resolution electrospray ionization mass; LBD; ligand-binding domain; MDA; malondialdehyde; NCoEx; nuclear corepressor exchange factor; PPARs; peroxisome proliferator-activat

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2016 سفارش ترجمه

Structure based medicinal chemistry-driven strategy to design substituted dihydropyrimidines as potential antileishmanial agents

Keywords: داکت; Leishmaniasis; Structure based drug design; Chalcones; Dihydropyrimidine; Docking; Rigidification

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2016 سفارش ترجمه

Synthesis of novel bisindolylmethanes: New carbonic anhydrase II inhibitors, docking, and 3D pharmacophore studies

Keywords: داکت; Bisindolylmethane; Sulfonamide; Carbonic anhydrase II; Enzyme inhibition; Docking

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2016 سفارش ترجمه

Design, synthesis, and biological evaluation of novel thiazolidinediones as PPARγ/FFAR1 dual agonists

Keywords: داکت; Diabetes; PPARγ; FFAR1; Thiazolidinedione; Docking

دانلود رایگان متن کامل مقاله ISI 16 صفحه سال انتشار : 2016 سفارش ترجمه

Molecular docking studies in factor XIa binding site

Keywords: داکت; Factor XIa; Docking; XP; SP; Binding site; RMSD; Catalytic aspartate; Anionic; GlideScore

دانلود رایگان متن کامل مقاله ISI 18 صفحه سال انتشار : 2016 سفارش ترجمه

Establishment of correlation between in-silico and in-vitro test analysis against Leishmania HGPRT to inhibitors

Keywords: داکت; HGPRT; hypoxanthine-guanine phosphoribosyltransferase; HPRT; hypoxanthine phosphoribosyltransferase; APRT; adenosine phosphoribosyltransferase; XPRT; xanthine phosphoribosyltransferase; CL; cutaneous leishmaniasis; MCL; muco-cutaneous leishmaniasis; VL; v

دانلود رایگان متن کامل مقاله ISI 19 صفحه سال انتشار : 2016 سفارش ترجمه

A review on ROCK-II inhibitors: From molecular modelling to synthesis

Keywords: داکت; XHJYFLXYQPATSO-OAQYLSRUSA-N; NGOKTEXAUPRBFP-UHFFFAOYSA-N; OMVMGDVRMSCTFN-UHFFFAOYSA-N; MUVYYVZAJFICKR-UHFFFAOYSA-N; JAWPAUHQCGKVGI-GFCCVEGCSA-N; ROFMCPHQNWGXGE-UHFFFAOYSA-N; WEEWAVMLLVLCNC-UHFFFAOYSA-N; PZWKXWPMVNKURA-UHFFFAOYSA-N; RHQHGEJBKFGHSM-RUZDIDTE

دانلود رایگان متن کامل مقاله ISI 20 صفحه سال انتشار : 2016 سفارش ترجمه

Modeling, molecular docking, probing catalytic binding mode of acetyl-CoA malate synthase G in Brucella melitensis 16M

Keywords: داکت; Malate synthase G; Catalytic function; Modeling; Virtual screening; Docking;

دانلود رایگان متن کامل مقاله ISI 20 صفحه سال انتشار : 2016 سفارش ترجمه

Virtual screening based on pharmacophore model followed by docking simulation studies in search of potential inhibitors for p38 map kinase

Keywords: داکت; P38 map kinase inhibitors; Ligand-based pharmacophore modeling; Computer aided drug design; Docking; Virtual screening

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2016 سفارش ترجمه

Marine derived compounds as binders of the White spot syndrome virus VP28 envelope protein: In silico insights from molecular dynamics and binding free energy calculations

Keywords: داکت; White spot syndrome virus; VP28; Envelope protein; Docking; Virtual screening; Dynamics; Binding affinity;

دانلود رایگان متن کامل مقاله ISI 24 صفحه سال انتشار : 2016 سفارش ترجمه

A comparative study based on docking and molecular dynamics simulations over HDAC-tubulin dual inhibitors

Keywords: داکت; Histone deacetylase 8; Histone deacetylase 1; Hybrid ligands; Molecular dynamics simulations; Docking; Free binding energy;

دانلود رایگان متن کامل مقاله ISI 27 صفحه سال انتشار : 2016 سفارش ترجمه

Structural features and activity of Brazzein and its mutants upon substitution of a surfaced exposed alanine

Keywords: داکت; Brazzein; Site-directed mutagenesis; Sweetness; Docking; Equilibrium; Interaction;

دانلود رایگان متن کامل مقاله ISI 27 صفحه سال انتشار : 2016 سفارش ترجمه

Enantioselective endocrine disrupting effects of omeprazole studied in the H295R cell assay and by molecular modeling

Keywords: داکت; In vitro; docking; molecular dynamics; endocrine disrupting drug; enantiomers; steroidogenesis; CYP17A1; CYP19A1; CYP21A2;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2016 سفارش ترجمه

Synthesis and in vitro α-chymotrypsin inhibitory activity of 6-chlorobenzimidazole derivatives

Keywords: داکت; Benzimidazole; α-Chymotrypsin inhibition; Serine protease; Docking;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2016 سفارش ترجمه

Pharmacophore-based screening targeted at upregulated FN1, MMP-9, APP reveals therapeutic compounds for nasopharyngeal carcinoma

Keywords: داکت; Nasopharyngeal carcinoma; Bioinformatics; Drug discovery; Virtual screening; Pharmacophore; Docking;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2016 سفارش ترجمه

Design, synthesis, biological evaluation and docking studies of novel 2-substituted-4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives as dual PI3Kα/mTOR inhibitors

Keywords: داکت; Thiopyrano[4,3-d]pyrimidine; Synthesis; Docking; PI3Kα/mTOR inhibitors;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2016 سفارش ترجمه

New applications for known drugs: Human glycogen synthase kinase 3 inhibitors as modulators of Aspergillus fumigatus growth

Keywords: داکت; Aspergillus nidulans; Aspergillus fumigatus; Docking; Fpocket; GSK-3 inhibitors;

دانلود رایگان متن کامل مقاله ISI 29 صفحه سال انتشار : 2016 سفارش ترجمه

Pyrazole-based potent inhibitors of GGT1: Synthesis, biological evaluation, and molecular docking studies

Keywords: داکت; GGT1 inhibitor; Rap1A; Cell proliferation; Docking; Cancer therapy;

دانلود رایگان متن کامل مقاله ISI 31 صفحه سال انتشار : 2016 سفارش ترجمه

Evolution of camel CYP2E1 and its associated power of binding toxic industrial chemicals and drugs

Keywords: داکت; Cytochrome P450; Docking; Evolution rate; Binding; Molecular modeling;

دانلود رایگان متن کامل مقاله ISI 31 صفحه سال انتشار : 2016 سفارش ترجمه

Identification of new potent phthalazine derivatives with VEGFR-2 and EGFR kinase inhibitory activity

Keywords: داکت; Phthalazine; Cytotoxicity; VEGFR-2; EGFR; Docking;

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2016 سفارش ترجمه

Antioxidant properties, computational studies and corrosion inhibition potential of 3-hydroxy-1-(2-hydroxyphenyl)-5-(phenyl)-2,4-pentadien-1-one analogues

Keywords: داکت; Corrosion inhibition; Antioxidant activity; DPPH; FRAP; Docking; Computational studies;

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2016 سفارش ترجمه

Biophysical analysis of novel oxy-diester hybrid cationic gemini surfactants (Cm-E2O-Cm) with xanthine oxidase (XO)

Keywords: داکت; Hybrid gemini surfactants; Xanthine oxidase; Quenching; Docking;

دانلود رایگان متن کامل مقاله ISI 35 صفحه سال انتشار : 2016 سفارش ترجمه

Triazole tethered C5-curcuminoid-coumarin based molecular hybrids as novel antitubulin agents: Design, synthesis, biological investigation and docking studies

Keywords: داکت; C5-curcuminoid; Hybrid; Coumarin; Antitumor; Antitubulin; Docking;

دانلود رایگان متن کامل مقاله ISI 41 صفحه سال انتشار : 2016 سفارش ترجمه

Understanding the molecular basis of agonist/antagonist mechanism of GPER1/GPR30 through structural and energetic analyses

Keywords: داکت; GPER1; Molecular dynamics simulations; Docking; Principal Component Analysis; Ligand recognition;

دانلود رایگان متن کامل مقاله ISI 43 صفحه سال انتشار : 2016 سفارش ترجمه

Antibacterial efficacy of fractions and compounds from Indigofera barberi: Identification of DNA gyrase B inhibitors through pharmacophore based virtual screening

Keywords: داکت; Indigofera barberi; MDR Gram−ve bacteria; MIC; Docking; MD simulations; Pharmacophore modeling;

دانلود رایگان متن کامل مقاله ISI 45 صفحه سال انتشار : 2016 سفارش ترجمه

Identification and activity of inhibitors of the essential nematode-specific metalloprotease DPY-31

Keywords: داکت; Nematode; Anthelmintic; Metalloprotease inhibitor; Docking; Peptidomimetic;

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2015 سفارش ترجمه

Design, synthesis and evaluation of isoxazolo[5,4-d]pyrimidin-4(5H)-one derivatives as antithrombotic agents

Keywords: داکت; Antithrombotic agent; Factor Xa; Isoxazolo[5,4-d]pyrimidin-4(5H)-one; Docking

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2015 سفارش ترجمه

Expanding the structural diversity of Bcr-Abl inhibitors: Hybrid molecules based on GNF-2 and Imatinib

Keywords: داکت; Bcr-Abl inhibitors; Hybrid molecule; Bioactivity; Docking;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2015 سفارش ترجمه

BPIC: A novel anti-tumor lead capable of inhibiting inflammation and scavenging free radicals

Keywords: داکت; Docking; Anti-tumor activity; Anti-inflammation; Free radical; Lead;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2015 سفارش ترجمه

Structure-activity relationship and inhibition pattern of reishi-derived (Ganoderma lingzhi) triterpenoids against angiotensin-converting enzyme

Keywords: داکت; Triterpenoids; Ganoderma lingzhi; Ganodermataceae; Structure-activity; Inhibition pattern; Docking;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2015 سفارش ترجمه

The catechol-O-methyltransferase inhibitory potential of Z-vallesiachotamine by in silico and in vitro approaches

Keywords: داکت; Monoterpene indole alkaloids; Vallesiachotamine; Catechol-O-methyltransferase; Docking; Neurodegenerative diseases

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2015 سفارش ترجمه