Keywords: Androgen; PBDEs; MD simulations; Classification models; QSAR; CoMSIA;
مقالات ISI (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
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
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
Using 3D-QSAR to predict the separation efficiencies of flotation collectors: Implications for rational design of non-polar side chains
Keywords: 3D-QSAR; Substituted cupferrons; Flotation collectors; Topomer CoMFA; CoMSIA;
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;
3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase
Keywords: QSAR; quantitative structure activity relationship; PIM; proviral integration site for moloney murine leukaemia virus kinases; CoMSIA; comparative molecular similarity indices analyisis; AD; applicability domain; Acc; acceptor field; Don; donor field; Hyd
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;
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;
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(
Structure-activity relationships studies on weakly basic N-arylsulfonylindoles with an antagonistic profile in the 5-HT6 receptor
Keywords: Serotonin; 5HT6 receptor; Antagonists; Indole; Obesity; 3D-QSAR; CoMSIA;
Research ArticleComparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors
Keywords: BACE1; AD; HQSAR; CoMFA; CoMSIA;
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;
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;
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
The application of molecular modelling in the safety assessment of chemicals: A case study on ligand-dependent PPARγ dysregulation
Keywords: ADMET; absorption, distribution, metabolism, excretion and toxicity; AOP; adverse outcome pathway; BHK21 ATCC CCL10; baby hamster kidney cell line from the American Type Culture Collection; CAS; chemical abstracts service; CoMSIA; comparative molecular si
3D-QSAR and molecular docking studies on HIV protease inhibitors
Keywords: Cyclic-urea derivatives; 3D-QSAR; CoMSIA; Molecular docking;
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;
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;
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;
3D QSAR and HQSAR analysis of protein kinase B (PKB/Akt) inhibitors using various alignment methods
Keywords: PKB/Akt inhibitors; CoMFA; CoMSIA; HQSAR; Tripos;
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;
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
3D-QSAR study and design of 4-hydroxyamino α-pyranone carboxamide analogues as potential anti-HCV agents
Keywords: Hepatitis C virus (HCV); Direct acting antivirals; QSAR; COMSIA; Design;
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;
Identification of androgen receptor antagonists: In vitro investigation and classification methodology for flavonoid
Keywords: Methodology; Androgen; Flavonoids; MD simulations; QSAR; CoMSIA;
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
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
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
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
Prediction of octanol-air partition coefficients for polychlorinated biphenyls (PCBs) using 3D-QSAR models
Keywords: PCBs; KOA; 3D-QSAR; CoMFA; CoMSIA; Migrate;
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;
3D-QSAR and molecular docking studies on designing inhibitors of the hepatitis C virus NS5B polymerase
Keywords: Hepatitis C virus (HCV); NS5B polymerase inhibitors; QSAR; COMSIA; Molecular docking
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
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
QSAR studies on triazole derivatives as sglt inhibitors via CoMFA and CoMSIA
Keywords: QSAR; CoMFA; CoMSIA; SGLT inhibitory triazolesPOSSLJXFNDOHKV-UHFFFAOYSA-N
Three-dimensional quantitative structure–activity relationship study on anti-cancer activity of 3,4-dihydroquinazoline derivatives against human lung cancer A549 cells
Keywords: CoMSIA; 3-D QSAR; 3,4-Dihydroquinazoline; Human lung cancer A549 cells
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
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
Structural findings of phenylindoles as cytotoxic antimitotic agents in human breast cancer cell lines through multiple validated QSAR studies
Keywords: Antimitotic agents; R-group QSAR; 2D-QSAR; Support vector machine; Kernel-based PLS; CoMSIA;
Computational Analysis of CRTh2 receptor antagonist: A Ligand-based CoMFA and CoMSIA approach
Keywords: CRTh2; 3D-QSAR; CoMFA; CoMSIA
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
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
Molecular docking and QSAR analyses for understanding the antimalarial activity of some 7-substituted-4-aminoquinoline derivatives
Keywords: Malaria; Plasmodium falciparum; 2D-QSAR; CoMFA; CoMSIA; Molecular dockingN-(furan-2-ylmethyl)-N′-(7-phenoxyquinolin-4-yl)propane-1,3-diamine (PubChem CID: 56593944); N-[(5-fluoro-2-methoxy-phenyl)methyl]-N′-[7-(3-methoxyphenoxy)-4-quinolyl]propane-1,3-dia
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
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: 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
Structural analysis of selective agonists of thyroid hormone receptor β using 3D-QSAR and molecular docking
Keywords: Thyroid hormone receptor β; Thyroid hormone receptor α; CoMFA; CoMSIA; Molecular docking;
Three-dimensional quantitative structure–activity relationship study on antioxidant capacity of curcumin analogues
Keywords: Curcumin; Antioxidant; 3D-QSAR; CoMSIA
3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches
Keywords: 3D-QSAR; Substituted benzenes; Toxicity; CoMFA; CoMSIA; VolSurf
CoMFA and CoMSIA analysis of ACE-inhibitory, antimicrobial and bitter-tasting peptides
Keywords: ACE inhibition; Antimicrobial; Bitterness; CoMFA; CoMSIA
Prediction of binding affinities of PCDDs, PCDFs and PCBs using docking-based Comparative Molecular Similarity Indices Analysis
Keywords: PCDDs; PCDFs; PCBs; Binding affinity; Aryl hydrocarbon receptor; CoMSIA