دانلود مقالات ISI درباره داکت + ترجمه فارسی

Unexpected wide substrate specificity of C. perfringens α-toxin phospholipase C

Keywords: داکت; Ala and A; alanine; Asp and D; aspartic acid; BcPLC; Bacillus cereus phospholipase C; BSA; bovine serum albumin; CbPLC; Clostridium bifermentans phospholipase C; CDCl3-d; deuterated chloroform; Chol; cholesterol; CpPLC; Clostridium perfringens phospholipa

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

Design, synthesis, and biological evaluation of a novel series of bisintercalating DNA-binding piperazine-linked bisanthrapyrazole compounds as anticancer agents

Keywords: داکت; SKPRIJWVEDRIOT-BQYQJAHWSA-N; OOOUBTWYQQAQFN-OWOJBTEDSA-N; HAYSPOCTKYOUCB-UHFFFAOYSA-N; WNVGQEMFZKUSTF-UHFFFAOYSA-N; VNYDXEMIMZMHQE-OWOJBTEDSA-N; PNPRCRFPOPRPNR-UHFFFAOYSA-N; WHUQGTNSJGDHHT-UHFFFAOYSA-N; GMVGQYMQJCJUMH-UHFFFAOYSA-N; YGZMSSQJSOSLPO-UHFFFAOY

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

Selective and potent agonists for estrogen receptor beta derived from molecular refinements of salicylaldoximes

Keywords: داکت; Estrogen; Receptor binding; Agonists; Salicylaldoxime; Docking; ER; estrogen receptor; ERα; estrogen receptor subtype alpha; ERβ; estrogen receptor subtype beta; LBD; ligand binding domain; RBA; relative binding affinity; RTP; relative transcriptional p

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

Insights into the structure of urea-like compounds as inhibitors of the juvenile hormone epoxide hydrolase (JHEH) of the tobacco hornworm Manduca sexta: Analysis of the binding modes and structure-activity relationships of the inhibitors by docking and Co

Keywords: داکت; Juvenile hormone epoxide hydrolase inhibitors; Docking; Quantitative structure-activity relationship; QSAR alignment;

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

Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: A hybrid 2D NMR and docking/QM/MM/MD approach

Keywords: داکت; Pentacycloundecane (PCU) peptides; HIV protease inhibitor; EASY–ROESY; Docking; QM/MM/MD; Molecular dynamics simulationPIs, protease inhibitors; HIV PR, HIV protease; AZT, azidothymidine; CNS, central nervous system; PCU, pentacycloundecane

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

A class of Trp-Trp-AA-OBzl: Synthesis, in vitro anti-proliferation/in vivo anti-tumor evaluation, intercalation-mechanism investigation and 3D QSAR analysis

Keywords: داکت; Trp-Trp-AA-OBzl; Anti-tumor; Intercalation; Docking; 3D QSAR

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

Ligand-based autotaxin pharmacophore models reflect structure-based docking results

Keywords: داکت; Autotaxin; Pharmacophore; Docking

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2011 سفارش ترجمه

Synthesis and evaluation of β-carboline derivatives as potential monoamine oxidase inhibitors

Keywords: داکت; β-Carboline; MAO inhibition; Docking; X-ray;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2011 سفارش ترجمه

Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening

Keywords: داکت; HIV; gp120; CD4; Entry inhibitor; Virtual screening; Docking; Shape-based similarity;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2011 سفارش ترجمه

Docking studies of benzylidene anabaseine interactions with α7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): Application to the design of related α7 selective ligands

Keywords: داکت; AChBPs; Nicotinic acetylcholine receptor α7; Docking; Benzylidene-anabaseine analogs; Spirodiazepine and spiroimidazoline quinuclidine series; Ac; Aplysia californica; ACHBP; Acetylcholine-binding protein; AD; Alzheimer's disease; ADHD; Attention defic

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2011 سفارش ترجمه

Viral channel forming proteins — Modeling the target

Keywords: داکت; Viral channel protein; Assembly; Docking; Sequence alignment; Ion channel; Toxin

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2011 سفارش ترجمه

Potentially increasing the metabolic stability of drug candidates via computational site of metabolism prediction by CYP2C9: The utility of incorporating protein flexibility via an ensemble of structures

Keywords: داکت; CYP2C9; Metabolism; Docking; Protein flexibility; Computational chemistry

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2011 سفارش ترجمه

Computer- and structure-based lead design for epigenetic targets

Keywords: داکت; Epigenetic targets; Histone modifiers; Virtual screening; Inhibitor design; Docking

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2011 سفارش ترجمه

Prediction of the PPARα agonism of fibrates by combined MM–docking approaches

Keywords: داکت; PPAR; Fibrates; Docking; Binding energy; Linear regression

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2011 سفارش ترجمه

Synthesis, structural elucidation, DNA-PK inhibition, homology modelling and anti-platelet activity of morpholino-substituted-1,3-naphth-oxazines

Keywords: داکت; Morpholino-1,3-naphth-oxazine; DNA-PK IC50; Docking; Anti-platelet activity

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2011 سفارش ترجمه

Pharmacophore filtering and 3D-QSAR in the discovery of new JAK2 inhibitors

Keywords: داکت; JAK2; Pharmacophore; 3D-QSAR; Docking

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2011 سفارش ترجمه

Drug design for mPGES-1 from traditional Chinese medicine database: A screening, docking, QSAR, molecular dynamics, and pharmacophore mapping study

Keywords: داکت; Microsomal prostaglandin E2 synthase 1 (mPGES-1); Traditional Chinese medicine (TCM); Docking; Molecular dynamics (MD); Qualitative structure-activity relationship (QSAR);

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2011 سفارش ترجمه

Design, synthesis, and evaluation of small molecule Hsp90 probes

Keywords: داکت; Heat shock protein 90; PU-H71; NVP-AUY922; SNX-2112; Cancer; Docking

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2011 سفارش ترجمه

BCL::EM-Fit: Rigid body fitting of atomic structures into density maps using geometric hashing and real space refinement

Keywords: داکت; EM; electron microscopy; MCM; Monte Carlo/Metropolis; RMSDCα; root mean square distance or deviation of the Cα-atom coordinates; CCC; cross correlation coefficient; Voxel; volume pixel; Cryo-electron microscopy; CryoEM; Geometric hashing; Real space; Mo

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2011 سفارش ترجمه

Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors

Keywords: داکت; Nicotinic acetylcholine receptors (nAChR); Acetylcholine binding protein (AChBP); Electrophysiology; In silico screening; Virtual screening; Docking; Crystallization; Ligand-gated ion channels (LGICs); Cys-loop receptors

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2011 سفارش ترجمه

Multi-conformation 3D QSAR study of benzenesulfonyl-pyrazol-ester compounds and their analogs as cathepsin B inhibitors

Keywords: داکت; Multi-conformation QSAR; 4D QSAR; Docking; CoMFA; CoMSIA; Cathepsin B; Inhibitors; Regression; Partial least squares; PubChem

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2011 سفارش ترجمه

Part I: Synthesis, cancer chemopreventive activity and molecular docking study of novel quinoxaline derivatives

Keywords: داکت; Synthesis; Quinoxalines; Anti-tumor promoter; Epstein-Barr virus; Two-stage carcinogenesis; 12-O-Tetradecanoylphorbol-13-acetate (TPA); Docking; Protein tyrosine kinase receptor (PTK);

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2011 سفارش ترجمه

The structure-antituberculosis activity relationships study in a series of 5-aryl-2-thio-1,3,4-oxadiazole derivatives

Keywords: داکت; VTQRCKMBKLAANR-UHFFFAOYSA-N; YJSUNTZAGDQYMW-VBKFSLOCSA-N; KYLARSPONFUTLR-LGMDPLHJSA-N; DERFVUJHQBQIGF-UZYVYHOESA-N; GCAVATSAALLGDW-UZYVYHOESA-N; SARBBVVHMNGMQM-BOPFTXTBSA-N; WBBZELFMVALAKP-DHDCSXOGSA-N; LYVOVVWKDBDXNW-PTNGSMBKSA-N; HBIMACIDRRIZLO-QINSGFPZ

دانلود رایگان متن کامل مقاله ISI 16 صفحه سال انتشار : 2011 سفارش ترجمه

Chromone-2- and -3-carboxylic acids inhibit differently monoamine oxidases A and B

Keywords: داکت; Chromones; Docking; Monoamine oxidase; Inhibitors

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Evaluation of aldose reductase inhibition and docking studies of 6′-nitro and 6′,6″-dinitrorosmarinic acids

Keywords: داکت; 6′-Nitro and 6′,6″-dinitrorosmarinic acids; Aldose reductase; Docking; GLUE

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Mechanisms of imidacloprid resistance in Nilaparvata lugens by molecular modeling

Keywords: داکت; nAChR; Imidacloprid; Homology model; Docking; Resistance

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Preparation and in vitro screening of symmetrical bispyridinium cholinesterase inhibitors bearing different connecting linkage—initial study for Myasthenia gravis implications

Keywords: داکت; Cholinesterase; Inhibitor; Myasthenia gravis; Quaternary; In vitro; Docking

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Proposed structural basis of interaction of piperine and related compounds with monoamine oxidases

Keywords: داکت; Piperine; Monoamine oxidase; Docking; AutoDock

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Discovery of the inhibitors of tumor necrosis factor alpha with structure-based virtual screening

Keywords: داکت; Virtual screening; Docking; TNF-α; Anti-asthmatic drug

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Design, synthesis and biological evaluation of quinoline amide derivatives as novel VEGFR-2 inhibitors

Keywords: داکت; Quinoline amide; SAR; Docking; VEGFR-2 inhibitor

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Identification of optimum computational protocols for modeling the aryl hydrocarbon receptor (AHR) and its interaction with ligands

Keywords: داکت; Aryl hydrocarbon receptor (AHR); Docking; Scoring; Molecular dynamics; MM-GBSA; CYP1A1; TCDD

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Synthesis and molecular modelling studies of prenylated pyrazolines as MAO-B inhibitors

Keywords: داکت; Prenylated pyrazoline; 4,5-Dihydro-(1H)-pyrazole; hMAO-B inhibitors; Docking

دانلود رایگان متن کامل مقاله ISI 4 صفحه سال انتشار : 2010 سفارش ترجمه

Triazolyl tryptoline derivatives as β-secretase inhibitors

Keywords: داکت; BACE1; BACE1 inhibitor; JJCA-140; Tryptoline; Docking; Binding mode; Enzyme assay; Cathepsin-D

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2010 سفارش ترجمه

In silico characterization of cytisinoids docked into an acetylcholine binding protein

Keywords: داکت; Nicotinic acetylcholine receptors; Acetylcholine binding protein; Cytisinoids; Docking;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2010 سفارش ترجمه

Active site binding modes of dimeric phloroglucinols for HIV-1 reverse transcriptase, protease and integrase

Keywords: داکت; HIV-1 reverse transcriptase; HIV-1 integrase; HIV-1 protease; Dimeric phloroglucinols; Docking;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2010 سفارش ترجمه

Evodiamine as a novel antagonist of aryl hydrocarbon receptor

Keywords: داکت; Aryl hydrocarbon receptor; Evodiamine; Docking; Homology modeling; Antagonist

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2010 سفارش ترجمه

Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2

Keywords: داکت; NQO2; Imidazoacridinones; Docking; Structure/activity relationships

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2010 سفارش ترجمه

Towards development of selective and reversible pyrazoline based MAO-inhibitors: Synthesis, biological evaluation and docking studies

Keywords: داکت; Pyrazolines; MAO-inhibitors; Docking

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2010 سفارش ترجمه

Homology modeling and docking study of xanthine oxidase of Arthrobacter sp. XL26

Keywords: داکت; Homology modeling; Arthrobacter sp. XL26 XO (xodB protein); Docking

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

Design and synthesis of active vitamin D analogs

Keywords: داکت; Design; Synthesis; Vitamin D3 analogs; Docking; Structure; Aromatic seco-steroidal D-ring

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

Identification of potent ITK inhibitors through focused compound library design including structural information

Keywords: داکت; ITK; Interleukin-2 inducible T cell kinase; ITK inhibitors; Library design; Kinases; Drug design; Docking; Crystal structure; X-ray; Lead finding; Lead optimisation; Focused kinase library; Ligand efficiency

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

Combined pharmacophore and structure-guided studies to identify diverse HSP90 inhibitors

Keywords: داکت; HSP90; Pharmacophore; HipHop model; Docking; SKBr3 cell line

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

Synthesis, anticancer activity and docking of some substituted benzothiazoles as tyrosine kinase inhibitors

Keywords: داکت; Anticancer; Breast cancer MCF-7 cell line; Synthesis; Docking; Tyrosine kinase

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

BACE1 inhibitory activities of enantiomerically pure, variously substituted N-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl) arylsulfonamides

Keywords: داکت; Alzheimer; BACE1; Enzyme inhibition; Docking; Benzhydryl-piperazines

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

Discovery of 1H-benzo[d][1,2,3]triazol-1-yl 3,4,5-trimethoxybenzoate as a potential antiproliferative agent by inhibiting histone deacetylase

Keywords: داکت; Benzotriazole; Biological activity; Docking; Inhibitors; SynthesisAcOH, acetic acid; Anal., analysis; aq, aqueous; Ar, aryl; BmOB, 3-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methoxyphenyl)-1-oxopropan-2-yl benzoate; Bt, benzotriazolyl; Calcd, calculation; CD

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

Docking and 3D-QSAR studies of 7-hydroxycoumarin derivatives as CK2 inhibitors

Keywords: داکت; CK2α; DBC derivative; Docking; 3D-QSAR

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

Pharmacophore modeling and virtual screening for designing potential 5-Lipoxygenase inhibitors

Keywords: داکت; 5-LOX; Asthma; Pharmacophore modeling; Docking; Virtual screening; Lipoxygenase inhibitor

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

3D-QSAR and docking studies on transforming growth factor (TGF)-β receptor 1 antagonists

Keywords: داکت; ALK-5; QSAR; Docking; SB-505124; GOLD; MOE; SYBYL-X; Imidazoles

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2010 سفارش ترجمه

Evaluation of substituted triazol-1-yl-pyrimidines as inhibitors of Bacillus anthracis acetohydroxyacid synthase

Keywords: داکت; Bantx, B. anthracis; HE, reconstituted AHAS; BCAAs, branched-chain amino acids; CSU, catalytic subunit; RSU, regulatory subunit; SUs, sulfonylureas; IMs, imidazolinones; TPs, triazolopyrimidinesAcetohydroxyacid synthase; Bacillus anthracis; Docking; Recon

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2010 سفارش ترجمه

An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation

Keywords: داکت; Bioprocesses; DFT; Docking; Flavonoid; Lipase; Molecular modelling; Substrate selectivity

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2010 سفارش ترجمه