Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
مقالات ISI تجزیه و تحلیل میدان مولکولی مقایسه شده (ترجمه نشده)
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Immunochemical techniques for multianalyte analysis of chemical residues in food and the environment: A review
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Antibacterial study of 3-(2-amino-6-phenylpyrimidin-4-yl)-N-cyclopropyl-1-methyl-1H-indole-2-carboxamide derivatives: CoMFA, CoMSIA analyses, molecular docking and ADMET properties prediction
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 3-(2-amino-6-phenylpyrimidin-4-yl)-N-Cyclopropyl-1-methyl-1H-indole-2-carboxamide; Antibacterial activity; Staphylococcus aureus; Three-dimensional quantitative structure activity relationship; Comparative molecular field analysis; Comparative molecular s
Discovery and evaluation of nNav1.5 sodium channel blockers with potent cell invasion inhibitory activity in breast cancer cells
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Drug interaction study of flavonoids toward CYP3A4 and their quantitative structure activity relationship (QSAR) analysis for predicting potential effects
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; CYPs; cytochrome P450s; HDIs; herb-drug interactions; HLMs; human liver microsomes; NADPï¼; β-nicotinamide adenine dinucleotide phosphate; QSAR; quantitative structure activity relationship; CoMFA; comparative molecular field analysis; LC-MS; liquid c
A comprehensive review on xanthone derivatives as α-glucosidase inhibitors
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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(
Molecular docking and QSAR analyses of aromatic heterocycle thiosemicarbazone analogues for finding novel tyrosinase inhibitors
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Structure-activity relationship of the inhibitory effects of flavonoids on nitric oxide production in RAW264.7 cells
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Atom and receptor based 3D QSAR models for generating new conformations from pyrazolopyrimidine as IL-2 inducible tyrosine kinase inhibitors
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Anticancer and structure-activity relationship evaluation of 3-(naphthalen-2-yl)-N,5-diphenyl-pyrazoline-1-carbothioamide analogs of chalcone
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Potent and selective N-(4-sulfamoylphenyl)thiourea-based GPR55 agonists
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
2-Methyl-4/5-nitroimidazole derivatives potentiated against sexually transmitted Trichomonas: Design, synthesis, biology and 3D-QSAR study
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Biomolecular recognition of antagonists by α7 nicotinic acetylcholine receptor: Antagonistic mechanism and structure-activity relationships studies
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
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: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
3D-QSAR, design, synthesis and characterization of trisubstituted harmine derivatives with in vitro antiproliferative properties
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; Harmine derivatives; Antiproliferative activity; Cytostatic activity; Comparative molecular field analysis;
Quantitative studies on structure-ORAC relationships of anthocyanins from eggplant and radish using 3D-QSAR
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; 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
Evaluation of structural features in fungal cytochromes P450 predicted to rule catalytic diversification
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; AT; aminotetralines; BFZ; bifonazole; BH; benzoheterocycles; BP; benzopyrones; CHARMM; Chemistry at HARvard Macromolecular Mechanics; CoMFA; comparative molecular field analysis; CPR; NADPH-cytochrome P450 oxidoreductase; CR; chromanes; CTZ; clotrimazole;
Structural requirements of organophosphorus insecticides (OPI) to inhibit chicken yolk sac membrane kynurenine formamidase related to OPI teratogenesis
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; COMFA; comparative molecular field analysis; COMSIA; comparative molecular similarity indices analysis; 3DQSAR; three-dimensional quantitative structure-activity relationship; ED50; a dose of an OPI injected into the yolk of a fertile chicken egg causin
Comparative molecular field analysis to derive pharmacophore maps for disposition parameters of intravenous anaesthetic agents
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; anaesthetics i.v; cardiovascular depression; comparative molecular field analysis; disposition of i.v. anaesthetic agents; model, computer simulation;
In silico prediction of inhibitory effects of pyrazol-5-one and indazole derivatives on GSK3β kinase enzyme
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; Glycogen synthase kinase-3 beta; Comparative molecular field analysis; Comparative molecular similarity indices analysis; Molecular docking; Molecular dynamics
Comparative molecular field analysis to derive pharmacophore maps for induction doses of intravenous anaesthetic agentsâ
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; anaesthetics i.v.; comparative molecular field analysis; indices of potency; model, computer simulation;
Development of pharmacophoric maps for cardiovascular depression by intravenous anaesthetic agents: comparison with maps for immobilizing activity
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; anaesthetics i.v.; comparative molecular field analysis; cardiovascular depression; indices of potency; model, computer simulation;
Quantitative structure–activity relationship studies of threo-methylphenidate analogs
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; Molecular descriptors; Dopamine transporter; Methylphenidate; Comparative molecular field analysis
Discovery, design, and synthesis of anti-metastatic lead phenylmethylene hydantoins inspired by marine natural products
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; Red Sea sponge Hemimycale arabica; Phenylmethylene hydantoins; Prostate cancer; Anti-metastatic; Spheroid disaggregation; Comparative molecular field analysis; 3D QSAR
What makes a molecule an anaesthetic? Studies on the mechanisms of anaesthesia using a physicochemical approach
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; anaesthetics i.v; anaesthetics volatile; comparative molecular field analysis; model, computer simulation; theories of anaesthetic agent action, molecular;
Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside transporter 1 (ENT1) inhibitory activity
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; Equilibrative nucleoside transporter 1 (ENT1); Inhibitor; Nitrobenzylmercaptopurine riboside (NBMPR); Pharmacophore mapping; 3D QSAR; Comparative molecular field analysis; PHASE; Flow cytometry; Constrained analogues; Synthesis
Three-dimensional quantitative structure–activity relationship of 4,5,6,7-tetrahydrothienopyridines analogues as glucose-6-phosphatase inhibitors
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; Glucose-6-phosphatase; 4,5,6,7-Tetrahydrothienopyridines analogues; Three-dimensional quantitative structure–activity relationship; Partial least square; Comparative molecular field analysis
Comparative molecular field analysis and comparative molecular similarity indices analysis of boron-containing human thymidine kinase 1 substrates
Keywords: تجزیه و تحلیل میدان مولکولی مقایسه شده; BNCT; boron neutron capture therapy; 3CTAs; 3-carboranyl thymidine analogues; hTK1; human thymidine kinase 1; Thd; thymidine; PR; phosphorylation rate; CoMFA; comparative molecular field analysis; CoMSIA; comparative molecular similarity indices analysis;