دانلود مقالات ISI درباره 3D QSAR + ترجمه فارسی

Synthesis, antitumor evaluation and 3D-QSAR studies of [1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine derivatives

Keywords: 3D QSAR; SSHHAQKQMJBRPW-UHFFFAOYSA-N; Triazole; Tetrazine; X-ray diffraction; Antiproliferative activity; 3D-QSAR; CoMFA; CoMSIA;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2016 سفارش ترجمه

QSAR analysis for some β-carboline derivatives as anti-tumor

Keywords: 3D QSAR; QSAR; β-Carboline; 3D-QSAR; V-Life Science; PLS;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2016 سفارش ترجمه

3D-QSAR studies of 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids as AKR1C3 inhibitors: Highlight the importance of molecular docking in conformation generation

Keywords: 3D QSAR; AKR1C3 inhibitors; 3D-QSAR; Dihydroisoquinoline; Benzoic acids; Docking;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2016 سفارش ترجمه

Synthesis, 3D-QSAR analysis and biological evaluation of quinoxaline 1,4-di-N-oxide derivatives as antituberculosis agents

Keywords: 3D QSAR; Quinoxaline 1,4-di-N-oxide; Tuberculosis; Antimycobacterial activity; 3D-QSAR; CoMFA; CoMSIA

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2016 سفارش ترجمه

Modeling corrosion inhibition efficacy of small organic molecules as non-toxic chromate alternatives using comparative molecular surface analysis (CoMSA)

Keywords: 3D QSAR; Corrosion inhibition; 3D-QSAR; DFT methods; Data analytics

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2016 سفارش ترجمه

3D-QSAR and docking studies on 1-hydroxypyridin-2-one compounds as mutant isocitrate dehydrogenase 1 inhibitors

Keywords: 3D QSAR; 3D-QSAR; Molecular docking; 1-Hydroxypyridin-2-ones; Mutant isocitrate dehydrogenase 1 inhibitors

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2016 سفارش ترجمه

Design, synthesis and anti-HIV activity of novel quinoxaline derivatives

Keywords: 3D QSAR; AIDS; HIV; Pharmacophore modelling; 3D-QSAR; Quinoxaline;

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

Active site characterization and structure based 3D-QSAR studies on non-redox type 5-lipoxygenase inhibitors

Keywords: 3D QSAR; 5-Lipoxygenase; 3D-QSAR; 5-Benzylidene-2-phenylthiazolinone inhibitors; CoMFA; CoMSIA;

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

Prediction of octanol-air partition coefficients for polychlorinated biphenyls (PCBs) using 3D-QSAR models

Keywords: 3D QSAR; PCBs; KOA; 3D-QSAR; CoMFA; CoMSIA; Migrate;

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

Atom based 3D-QSAR studies on 2,4-dioxopyrimidine-1-carboxamide analogs: Validation of experimental inhibitory potencies towards acid ceramidase

Keywords: 3D QSAR; Sphingolipids; Ceramidase; Ceramide; Chemotherapy; 3D-QSAR; AutoDock; Carmofur

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

Compound profiling and 3D-QSAR studies of hydrazone derivatives with activity against intracellular Trypanosoma cruzi

Keywords: 3D QSAR; Chagas disease; Hydrazones; Thiosemicarbazones; Thiazoles; 3D-QSAR; Drug design

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

Molecular modeling studies, synthesis and biological evaluation of dabigatran analogues as thrombin inhibitors

Keywords: 3D QSAR; Thrombin inhibitors; 3D-QSAR; Topomer CoMFA; Molecular docking; Synthesis

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

3D-QSAR-aided design, synthesis, in vitro and in vivo evaluation of dipeptidyl boronic acid proteasome inhibitors and mechanism studies

Keywords: 3D QSAR; 3D-QSAR; Proteasome inhibitor; Pharmacokinetic; Cell cycle

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

Identification of novel histone deacetylase 1 inhibitors by combined pharmacophore modeling, 3D-QSAR analysis, in silico screening and Density Functional Theory (DFT) approaches

Keywords: 3D QSAR; Pharmacophore; 3D-QSAR; DFT; MM/GBSA; Molecular docking

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

Exploring 2D and 3D QSARs of benzimidazole derivatives as transient receptor potential melastatin 8 (TRPM8) antagonists using MLR and kNN-MFA methodology

Keywords: 3D QSAR; Transient receptor potential melastatin 8 (TRPM8); Benzimidazole; 2D-QSAR; 3D-QSAR; MLR; kNN-MFA; Steric and electrostatic descriptors; VLife MDS;

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

Amino substituted benzimidazo[1,2-a]quinolines: Antiproliferative potency, 3D QSAR study and DNA binding properties

Keywords: 3D QSAR; Benzimidazoles; Benzimidazo[1,2-a]quinolines; 3D-QSAR; Antiproliferative activity; DNA binding properties

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

A new series of 2-phenol-4-aryl-6-chlorophenyl pyridine derivatives as dual topoisomerase I/II inhibitors: Synthesis, biological evaluation and 3D-QSAR study

Keywords: 3D QSAR; Antitumor agents; CoMFA; Cytotoxicity; 3D-QSAR; Dual topoisomerase I and II inhibition; 2-phenol-4-aryl-6-chlorophenyl pyridine;

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

2-Methyl-4/5-nitroimidazole derivatives potentiated against sexually transmitted Trichomonas: Design, synthesis, biology and 3D-QSAR study

Keywords: 3D QSAR; Anti-Trichomonas; Dithiocarbamate; 4/5-Nitroimidazoles; Resistant Trichomonas; Hybridization; STDs; sexually transmitted diseases; TV; Trichomonas vaginalis; DTC; dithiocarbamate; SAR; structure activity relationship; MTZ; Metronidazole; NI; nitroimidazol

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

A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study

Keywords: 3D QSAR; Molecular docking; Pharmacophore; 3D-QSAR; Molecular dynamics; Binding free energy; Density functional theory;

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

Syntheses, biological activities and SAR studies of novel carboxamide compounds containing piperazine and arylsulfonyl moieties

Keywords: 3D QSAR; Piperazine derivatives; Arylsulfonyl group; Biological activities; 3D-QSAR; Theoretical calculation;

دانلود رایگان متن کامل مقاله ISI 37 صفحه سال انتشار : 2016 سفارش ترجمه

Bioactive conformation analysis of anthranilic diamide insecticides: DFT-based potential energy surface scanning and 3D-QSAR investigations

Keywords: 3D QSAR; Bioactive conformation; Anthranilic diamides; Potential energy surface scanning; 3D-QSAR

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

Pharmacophore mapping studies on indolizine derivatives as 15-LOX inhibitors

Keywords: 3D QSAR; Indolizine; Lipoxygenase inhibitors; Modeling; Pharmacophore mapping; 3D-QSAR

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2015 سفارش ترجمه

Exploring clotrimazole-based pharmacophore: 3D-QSAR studies and synthesis of novel antiplasmodial agents

Keywords: 3D QSAR; Malaria; Plasmodium falciparum; Clotrimazole; 3D-QSAR; Ligand-based;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2015 سفارش ترجمه

Sulfonamide derivatives containing dihydropyrazole moieties selectively and potently inhibit MMP-2/MMP-9: Design, synthesis, inhibitory activity and 3D-QSAR analysis

Keywords: 3D QSAR; Sulfonamide derivatives; Anticancer; MMP-2/MMP-9; Docking; 3D-QSAR;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2015 سفارش ترجمه

Generation of comparative pharmacophoric model for steroidal 5α-reductase I and II inhibitors: A 3D-QSAR study on 6-azasteroids

Keywords: 3D QSAR; 6-Azasteroids; 3D-QSAR; 5α-Reductase; SOMFA; Pharmacophore;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2015 سفارش ترجمه

In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors

Keywords: 3D QSAR; Monoamine oxidase inhibitors; 4-Substituted-7-(halo)benzyloxy-2H-chromene-2-ones; Molecular docking; Selective MAO-B inhibitors; Parkinson's disease; 3D-QSAR

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2015 سفارش ترجمه

3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors

Keywords: 3D QSAR; 3D-QSAR; Molecular docking; Phenoloxidase; Benzaldehyde thiosemicarbazone derivatives; CoMFA; CoMSIA

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2015 سفارش ترجمه

Molecular modeling studies of [6,6,5] Tricyclic Fused Oxazolidinones as FXa inhibitors using 3D-QSAR, Topomer CoMFA, molecular docking and molecular dynamics simulations

Keywords: 3D QSAR; FXa; Tricyclic Fused Oxazolidinones; Topomer CoMFA; 3D-QSAR; Molecular dynamics simulations;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2015 سفارش ترجمه

Pharmacophore modeling and atom-based 3D-QSAR studies on amino derivatives of indole as potent isoprenylcysteine carboxyl methyltransferase (Icmt) inhibitors

Keywords: 3D QSAR; Icmt inhibitors; Amino derivatives; Indole; Pharmacophore modeling; 3D-QSAR; PHASE

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2015 سفارش ترجمه

Computational Analysis of CRTh2 receptor antagonist: A Ligand-based CoMFA and CoMSIA approach

Keywords: 3D QSAR; CRTh2; 3D-QSAR; CoMFA; CoMSIA

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2015 سفارش ترجمه

Discovery of potent and selective urea-based ROCK inhibitors: Exploring the inhibitor's potency and ROCK2/PKA selectivity by 3D-QSAR, molecular docking and molecular dynamics simulations

Keywords: 3D QSAR; ROCK inhibitors; ROCK/PKA selectivity; 3D-QSAR; Molecular docking; Molecular dynamics simulations;

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2015 سفارش ترجمه

Synthesis, biological evaluation, and molecular docking studies of novel 1-benzene acyl-2-(1-methylindol-3-yl)-benzimidazole derivatives as potential tubulin polymerization inhibitors

Keywords: 3D QSAR; Tubulin polymerization inhibitors; N-methylindole; Benzimidazole; Molecular docking; 3D-QSAR;

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2015 سفارش ترجمه

Biomolecular recognition of antagonists by α7 nicotinic acetylcholine receptor: Antagonistic mechanism and structure-activity relationships studies

Keywords: 3D QSAR; AChBP; acetylcholine binding protein; Ala; alanine; Arg; arginine; ATP; adenosine triphosphate; CNS; central nervous system; CoMFA; comparative molecular field analysis; CoMSIA; comparative molecular similarity indices analysis; Cys; cysteine; 3D-QSAR; th

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2015 سفارش ترجمه

Identification of triazolo[4,5-b]pyrazine derivatives as hepatocyte growth factor receptor inhibitors through structure-activity relationships and molecular docking simulations

Keywords: 3D QSAR; c-MET; Cancer therapy; 3D-QSAR; Molecular docking; Analogs design;

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2015 سفارش ترجمه

In silico investigation of new binding pocket for mitogen activated kinase kinase (MEK): Development of new promising inhibitors

Keywords: 3D QSAR; 3D-QSAR; ADMET properties; AutoDock; Mitogen activated protein kinase kinase; Vina

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2015 سفارش ترجمه

1,4-Disubstituted aromatic piperazines with high 5-HT2A/D2 selectivity: Quantitative structure-selectivity investigations, docking, synthesis and biological evaluation

Keywords: 3D QSAR; 3D-QSAR; D2 partial agonist; CoMFA; CoMSIA; GPCR; Subtype selectivity; 5-HT2A/D2 selectivity; Dopamine receptor; Serotonin receptor; Phenylpiperazine; 1,4-DAP

دانلود رایگان متن کامل مقاله ISI 15 صفحه سال انتشار : 2015 سفارش ترجمه

Structure based 3D-QSAR studies of Interleukin-2 inhibitors: Comparing the quality and predictivity of 3D-QSAR models obtained from different alignment methods and charge calculations

Keywords: 3D QSAR; CCBSA; co-crystallized-maximum common structure based alignment; CoMFA; Comparative Molecular Field Analysis; CoMSIA; Comparative Molecular Similarity Indices Analysis; GALAHAD; Genetic Algorithm with Linear Assignment of Hyper-molecular Alignment of Data

دانلود رایگان متن کامل مقاله ISI 16 صفحه سال انتشار : 2015 سفارش ترجمه

Development of selective DprE1 inhibitors: Design, synthesis, crystal structure and antitubercular activity of benzothiazolylpyrimidine-5-carboxamides

Keywords: 3D QSAR; Benzothiazole; DprE1 inhibitors; Crystal structure; Molecular docking; 3D-QSAR; Pharmacophore modelling;

دانلود رایگان متن کامل مقاله ISI 17 صفحه سال انتشار : 2015 سفارش ترجمه

Discovery of biphenyl-based VEGFR-2 inhibitors. Part 3: Design, synthesis and 3D-QSAR studies

Keywords: 3D QSAR; VEGFR-2 inhibitors; Biphenyl; Amide; Anticancer; 3D-QSAR;

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2015 سفارش ترجمه

Design, synthesis and pharmacological evaluation of pyrimidobenzothiazole-3-carboxylate derivatives as selective L-type calcium channel blockers

Keywords: 3D QSAR; Benzothiazole; Hypertension; 3D-QSAR; Myosin light chain kinase; ACE

دانلود رایگان متن کامل مقاله ISI 25 صفحه سال انتشار : 2015 سفارش ترجمه

Synthesis, biological evaluation and modeling studies of terphenyl topoisomerase IIα inhibitors as anticancer agents

Keywords: 3D QSAR; Terphenyls; Topoisomerase; 3D-QSAR;

دانلود رایگان متن کامل مقاله ISI 87 صفحه سال انتشار : 2015 سفارش ترجمه

Synthesis, characterization, antifungal evaluation and 3D-QSAR study of phenylhydrazine substituted tetronic acid derivatives

Keywords: 3D QSAR; Tetronic acid; Substituted phenylhydrazine; X-ray diffraction; Antifungal activity; 3D-QSAR;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2014 سفارش ترجمه

Three-dimensional quantitative structure–activity relationship study on antioxidant capacity of curcumin analogues

Keywords: 3D QSAR; Curcumin; Antioxidant; 3D-QSAR; CoMSIA

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2014 سفارش ترجمه

Pharmacophore mapping: Prediction of BCR–ABL kinase inhibitory activity of α-benzylthio chalcones

Keywords: 3D QSAR; Chalcone; Anticancer activity; 3D-QSAR; Pharmacophore hypothesis; Regression coefficient

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2014 سفارش ترجمه

In silico study of 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl) ethanones derivatives as CCR1 antagonist: Homology modeling, docking and 3D-QSAR approach

Keywords: 3D QSAR; CCR1; 3D-QSAR; Homology modeling; Receptor-guided CoMFA; Docking;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2014 سفارش ترجمه

Quantitative studies on structure-ORAC relationships of anthocyanins from eggplant and radish using 3D-QSAR

Keywords: 3D QSAR; 3D-QSAR; 3-dimensional quantitative structure activity relationship; ORAC; oxygen radical absorbing capacity; CoMFA; comparative molecular field analysis; CoMSIA; molecular similarity indices analysis; LOO; Leave-One-Out; TEAC; trolox equivalent antioxida

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2014 سفارش ترجمه

3D-QSAR study of adamantyl N-benzylbenzamides as melanogenesis inhibitors

Keywords: 3D QSAR; CoMFA; CoMSIA; 3D-QSAR; Melanogenesis; N-Benzylbenzamide;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2014 سفارش ترجمه

3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches

Keywords: 3D QSAR; 3D-QSAR; Substituted benzenes; Toxicity; CoMFA; CoMSIA; VolSurf

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2014 سفارش ترجمه

Exploring details about structure requirements based on novel CGRP receptor antagonists urethanamide, aspartate, succinate and pyridine derivatives by in silico methods

Keywords: 3D QSAR; Migraine; CGRP receptor antagonist; 3D-QSAR; Molecular docking

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2014 سفارش ترجمه

Design, synthesis and biological evaluation of novel 5-phenyl-1H-pyrazole derivatives as potential BRAFV600E inhibitors

Keywords: 3D QSAR; BRAFV600E inhibitor; Pyrazole; Niacinamide; Molecular docking; 3D-QSAR;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2014 سفارش ترجمه