دانلود مقالات ISI درباره Comfa + ترجمه فارسی

غربالگری عملکرد و ساختار ترکیبات، پپتیدها و پروتئین ها برای شناسایی نامزدهای داروی

Function and structure-based screening of compounds, peptides and proteins to identify drug candidates

Keywords: CoMFA; Comparative Molecular Field Analysis; DAIM; Decomposition and Identification of Molecules; HTS; high-throughput screening; QSAR; Quantitative structure-activity relationship; VDA; Vascular-disrupting agents; High throughput virtual screening; Inv

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2017 سفارش ترجمه

Immunochemical techniques for multianalyte analysis of chemical residues in food and the environment: A review

Keywords: Immunoassay; Multianalyte analysis; Antibody; Food; Environmental; BSA; bovine serum albumin; CAMM; computer-assisted molecular modeling; CCD; charge-coupled device; CDR; complementarity determining region; CR; cross-reactivity; CoMFA; comparative molecu

دانلود رایگان متن کامل مقاله ISI 60 صفحه سال انتشار : 2017 سفارش ترجمه

توسعه داروهای آلزایمر مبتنی بر طراحی مواد مخدر توسط کامپیوتر

Alzheimer's disease drug development based on Computer-Aided Drug Design

Keywords: Alzheimer's disease; Amyloid-β; β-secretases; γ-secretases; Computer-Aided Drug Design; AD; Alzheimer's disease; Aβ1-40; beta-Amyloid isoform 40 amino acids in length; Aβ1-42; beta-Amyloid isoform 42 amino acids in length; NMDA; N-Methyl-d-aspart

دانلود رایگان متن کامل مقاله ISI 54 صفحه سال انتشار : 2016 سفارش ترجمه

رابطه سیستماتیک ساختار-فعالیت برای پیش بینی چگونگی اتصال فلاونها به گیرنده آندروژن انسانی برای فعالیت آنتاگونیست

The systematic structure-activity relationship to predict how flavones bind to human androgen receptor for their antagonistic activity

Keywords: Androgen antagonist; Androgen receptor; Flavone; MDA-kb2; CoMFA;

دانلود رایگان متن کامل مقاله ISI 20 صفحه سال انتشار : 2013 سفارش ترجمه

سنتز، فعالیت ضدسل و مطالعه 3D-QSAR از ترکیبات اسید آمینه گروه 4- (ادمنتین-1-ایل) شامل کوینولین

Synthesis, anti-tuberculosis activity and 3D-QSAR study of amino acid conjugates of 4-(adamantan-1-yl) group containing quinolines

Keywords: Tuberculosis; Ring-substituted quinolines; CoMFA; Amino acid conjugates; Anti-tuberculosis

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2017 سفارش ترجمه

Discovery and evaluation of nNav1.5 sodium channel blockers with potent cell invasion inhibitory activity in breast cancer cells

Keywords: CDCl3; Deuterated chloroform; CH2Cl2; Methylene dichloride; 13C NMR; Carbon-13 nuclear magnetic resonance; CoMFA; Comparative molecular field analysis; CuBr.Me2S; Copper bromide dimethyl sulfide; DMEM; Dulbecco's modified eagle medium; DMSO; Dimethyl sulf

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2018 سفارش ترجمه

QSAR studies of TIBO derivatives as HIV-1 reverse transcriptase inhibitors using HQSAR, CoMFA and CoMSIA

Keywords: HIV-1 reverse transcriptase inhibitors; CoMFA; CoMSIA; HQSAR; Molecular docking;

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

Toward the identification of a reliable 3D-QSAR model for the protein tyrosine phosphatase 1B inhibitors

Keywords: Protein tyrosine phosphatase 1B; 3D-QSAR; CoMFA; CoMSIA; Molecular docking;

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

Drug interaction study of flavonoids toward CYP3A4 and their quantitative structure activity relationship (QSAR) analysis for predicting potential effects

Keywords: CYPs; cytochrome P450s; HDIs; herb-drug interactions; HLMs; human liver microsomes; NADP＋; β-nicotinamide adenine dinucleotide phosphate; QSAR; quantitative structure activity relationship; CoMFA; comparative molecular field analysis; LC-MS; liquid c

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

Using 3D-QSAR and molecular docking insight into inhibitors binding with complex-associated kinases CDK8

Keywords: CDK-8; 3D-QSAR; CoMFA; CoMSIA; Molecular docking; Lead drug candidates;

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

A comprehensive review on xanthone derivatives as α-glucosidase inhibitors

Keywords: Diabetes; α-Glucosidase; Inhibition; QSAR; Xanthone; Abs; absorbance; Ac; acetyl; Bn; benzyl; Bu; butyl; CoMFA; Comparative Molecular Field Analysis; CoMSIA; Comparative Molecular Similarity Indices Analysis; Et; ethyl; geranyl; -CH2CH=C(Me)-(CH2)2-CH=C(

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

Computational analysis of benzyl vinylogous derivatives as potent PDE3B inhibitors

Keywords: 3D QSAR; CoMFA; PLS; PDE3 inhibitors; Benzyl vinylogous;

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2017 سفارش ترجمه

3D-QSAR predictions for α-cyclodextrin binding constants using quantum mechanically based descriptors

Keywords: α-Cyclodextrin (CD); Binding constant; Inclusion complex; Prediction; αCD; α-cyclodextrin; QSAR; quantitative structure activity relationship; LSPs; local sigma profiles; COSMO; conductor-like screening model; CoMFA; comparative molecular field analysi

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2017 سفارش ترجمه

Novel anti-tumour barringenol-like triterpenoids from the husks of Xanthoceras sorbifolia Bunge and their three dimensional quantitative structure activity relationships analysis

Keywords: Xanthoceras sorbifolia Bunge; Barrigenol-type triterpenoid; Antitumor activities; CoMFA; CoMSIA; Health benefits;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2017 سفارش ترجمه

Combined CoMFA and CoMSIA 3D-QSAR study of benzimidazole and benzothiophene derivatives with selective affinity for the CB2 cannabinoid receptor

Keywords: CB2 cannabinoids; Benzimidazole; Benzothiophene; 3D-QSAR; CoMFA; CoMSIA;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2017 سفارش ترجمه

Research ArticleComparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors

Keywords: BACE1; AD; HQSAR; CoMFA; CoMSIA;

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2017 سفارش ترجمه

Molecular docking and QSAR analyses of aromatic heterocycle thiosemicarbazone analogues for finding novel tyrosinase inhibitors

Keywords: 3D-QSAR; three-dimensional quantitative structure-activity relationship; CoMFA; comparative molecular field analysis; CoMSIA; comparative molecular similarity indices analysis; PLS; Partial Least Squares; L-DOPA; L-3,4-dihydroxyphenylalanine; pIC50; -lo

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2017 سفارش ترجمه

The compound (3-{5-[(2,5-dimethoxyphenyl)amino]-1,3,4-thiadiazolidin-2-yl}-5,8-methoxy-2H-chromen-2-one) inhibits the prion protein conversion from PrPC to PrPSc with lower IC50 in ScN2a cells

Keywords: Prion; Docking; HQSAR; CoMFA; NMR; ScN2a cells;

دانلود رایگان متن کامل مقاله ISI 14 صفحه سال انتشار : 2017 سفارش ترجمه

3D-QSAR modeling and molecular docking studies on a series of 2,5 disubstituted 1,3,4-oxadiazoles

Keywords: 3D-QSAR; CoMFA; CoMSIA; Docking; Anti-fungal; 1-3-4 oxadiazoles;

دانلود رایگان متن کامل مقاله ISI 20 صفحه سال انتشار : 2017 سفارش ترجمه

A ligand-based comparative molecular field analysis (CoMFA) and homology model based molecular docking studies on 3′, 4′-dihydroxyflavones as rat 5-lipoxygenase inhibitors: Design of new inhibitors

Keywords: Rat 5-LOX; 3', 4'-dihydroxyflavones; 3D-QSAR; CoMFA; Homology modelling; Docking;

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2017 سفارش ترجمه

Combined 3D-QSAR and molecular docking study on 7,8-dialkyl-1,3-diaminopyrrolo-[3,2-f] Quinazoline series compounds to understand the binding mechanism of DHFR inhibitors

Keywords: CoMFA; CoMSIA; 7,8-Dialkyl-1,3-diaminopyrrolo-[3,2-f] Quinazoline; Molecular docking;

دانلود رایگان متن کامل مقاله ISI 21 صفحه سال انتشار : 2017 سفارش ترجمه

3D-QSAR and molecular docking analysis of (4-piperidinyl)-piperazines as acetyl-CoA carboxylases inhibitors

Keywords: Acetyl-CoA carboxylases; (4-Piperidinyl)-piperazines; CoMFA; CoMSIA; Molecular docking; LeapFrog;

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

3D QSAR and HQSAR analysis of protein kinase B (PKB/Akt) inhibitors using various alignment methods

Keywords: PKB/Akt inhibitors; CoMFA; CoMSIA; HQSAR; Tripos;

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

3D-QSAR studies on indole and 7-azoindole derivatives as ROCK-2 inhibitors: An integrative computational approach

Keywords: ROCK2; Indoles; Azoindoles; 3D-QSAR; CoMFA; CoMSIA;

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

Structure-activity relationship of the inhibitory effects of flavonoids on nitric oxide production in RAW264.7 cells

Keywords: CoMFA; comparative molecular field analysis; IFN-γ; interferon-; LPS; lipopolysaccharide; NO; nitric oxide; Flavonoid; Nitric oxide; Macrophage; Structure-activity relationship; Comparative molecular field analysis; DANYIYRPLHHOCZ-UHFFFAOYSA-N; MBNGWHIJM

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

Atom and receptor based 3D QSAR models for generating new conformations from pyrazolopyrimidine as IL-2 inducible tyrosine kinase inhibitors

Keywords: 3D-QSAR; 3-dimentional quantitative structure-activity relationship; CoMFA; comparative molecular field analysis; CoMSIA; comparative molecular similarity index analysis; PLS; partial least square; IL-2 Itk; interleukin 2 inducible tyrosine kinase; IL-2 I

دانلود رایگان متن کامل مقاله ISI 51 صفحه سال انتشار : 2017 سفارش ترجمه

Computer-aided design of negative allosteric modulators of metabotropic glutamate receptor 5 (mGluR5): Comparative molecular field analysis of aryl ether derivatives

Keywords: mGluR5; Negative allosteric modulators; Aryl ethers; CoMFA; 3-D QSAR

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

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

Keywords: 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

3D-QSAR studies on 5-hydroxy-6-oxo-1,6-dihydropyrimidine-4- carboxamide derivatives as HIV-1 integrase inhibitors

Keywords: HIV-1 integrase enzyme; CoMFA; CoMSIA; Molecular docking; MOLCAD3D-QSAR, three-dimensional quantitative structure–activity relationship; CoMFA, comparative molecular field analysis; CoMSIA, comparative molecular similarity index analysis; HIV-1, human imm

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: 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

3D-QSAR, molecular dynamics simulations and molecular docking studies of benzoxazepine moiety as mTOR inhibitor for the treatment of lung cancer

Keywords: Mammalian target of rapamycin (mTOR); Lung cancer; CoMFA; CoMSIA; Molecular dynamics simulations; Molecular docking

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

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

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

Anticancer and structure-activity relationship evaluation of 3-(naphthalen-2-yl)-N,5-diphenyl-pyrazoline-1-carbothioamide analogs of chalcone

Keywords: CoMFA; comparative molecular field analysis; CoMSIA; comparative molecular similarity index analysis; GI50; half-maximal cell growth inhibitory concentration; NDPC; 3-(naphthalen-2-yl)-N,5-diphenyl-pyrazoline-1-carbothioamide; Colorectal; Clonogenicity; Q

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

Potent and selective N-(4-sulfamoylphenyl)thiourea-based GPR55 agonists

Keywords: G protein-coupled receptor 55; Molecular modeling; Structure-activity relationships; ABHD6/12; α/β-hydrolase domain containing 6/12; 2-AG; 2-arachidonoylglycerol; AEA; N-arachidonoylethanolamine; ARA-LPI; 1-arachidonoyl-2-hydroxy-sn-glycero-3-phosphoi

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

Molecular docking, 3D QSAR and dynamics simulation studies of imidazo-pyrrolopyridines as janus kinase 1 (JAK 1) inhibitors

Keywords: CoMFA; CoMSIA; PLS; JAK; SP; MD

دانلود رایگان متن کامل مقاله ISI 14 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: 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

Comparative molecular field analysis and molecular docking studies on novel aryl chalcone derivatives against an important drug target cysteine protease in Plasmodium falciparum

Keywords: Cysteine protease inhibitors; Falcipain -2; CoMFA; Molecular docking; Aryl chalcone derivatives;

دانلود رایگان متن کامل مقاله ISI 19 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: 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

Benzo[d]thiazol-2-yl(piperazin-1-yl)methanones as new anti-mycobacterial chemotypes: Design, synthesis, biological evaluation and 3D-QSAR studies

Keywords: Tuberculosis; Benzo[d]thiazole-2-carboxamides; New antibacterial chemotypes; Anti-mycobacterial activity; COMFA; and 3D-QSAR;

دانلود رایگان متن کامل مقاله ISI 39 صفحه سال انتشار : 2016 سفارش ترجمه

3D-QSAR and molecular modeling studies on 2,3-dideoxy hexenopyranosid-4-uloses as anti-tubercular agents targeting alpha-mannosidase

Keywords: Homology modeling; Docking; Molecular dynamics; CoMFA; CoMSIA; Hierarchical clustering

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

QSAR studies on triazole derivatives as sglt inhibitors via CoMFA and CoMSIA

Keywords: QSAR; CoMFA; CoMSIA; SGLT inhibitory triazolesPOSSLJXFNDOHKV-UHFFFAOYSA-N

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2015 سفارش ترجمه

QSAR analyses of organophosphates for insecticidal activity and its in-silico validation using molecular docking study

Keywords: Combinatorial library; CoMFA; EPI Suite; Homology modelling;

دانلود رایگان متن کامل مقاله ISI 9 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; Molecular docking; Phenoloxidase; Benzaldehyde thiosemicarbazone derivatives; CoMFA; CoMSIA

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

Synthesis and evaluation of isatin-β-thiosemicarbazones as novel agents against antibiotic-resistant Gram-positive bacterial species

Keywords: Methicillin-resistant Staphylococcus aureus; Vancomycin-resistant Enterococcus; Isatin-β-thiosemicarbazone; In vitro activity; Structure-activity relationships; MRSA; methicillin-resistant Staphylococcus aureus; VRE; vancomycin-resistant Enterococcus;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2015 سفارش ترجمه

Molecular determinants of thyroid hormone receptor selectivity in a series of phosphonic acid derivatives: 3D-QSAR analysis and molecular docking

Keywords: TRβ; TRα; CoMFA; CoMSIA; Molecular docking

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2015 سفارش ترجمه

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

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

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: 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

In silico studies and fluorescence binding assays of potential anti-prion compounds reveal an important binding site for prion inhibition from PrPC to PrPSc

Keywords: CoMFA; CoMSIA; Docking; Virtual screening; Fluorescence quenching

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; 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