Keywords: مطالعات داکینگ; Proteasome; Immunoproteasome; 5-Arylidene-2-thioxoimidazolidin-4-ones; Non-covalent inhibitors; Docking studies;
مقالات ISI مطالعات داکینگ (ترجمه نشده)
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Keywords: مطالعات داکینگ; Alzheimer; Cholinesterase; Domino synthesis; Thiazoles; Docking studies;
Keywords: مطالعات داکینگ; Carbamates; Butyrylcholinesterase; Inhibitor; Synthesis; Biological evaluation; Physicochemical properties; Docking studies;
Keywords: مطالعات داکینگ; Quinolinium salts; Non-covalent interactions; Anti-inflammatory activity; DNA cleavage activity; Docking studies;
Keywords: مطالعات داکینگ; Metronidazole; Triazole; Entamoeba histolytica; Docking studies; Thioredoxin reductase;
Keywords: مطالعات داکینگ; Fluoronated compounds; Chalcones; 1,2,3-Triazoles; Antimicrobial activity; Docking studies;
Keywords: مطالعات داکینگ; Benzoflavone; Baker Venkataraman rearrangement; Cholesterol esterase inhibition; Enzyme kinetics; Docking studies;
Keywords: مطالعات داکینگ; Click chemistry; 1,2,3-Triazole; Amino acid tail; Anti-leishmanial; Docking studies; Trypanothione reductase;
Keywords: مطالعات داکینگ; Proteasome inhibitors; Non-peptide boronic acid; 1, 4-naphthoquinones; Docking studies;
Keywords: مطالعات داکینگ; Antimalarial hybrids; Aminoquinoline; Antiplasmodial activity; Heme binding activity; Docking studies;
Keywords: مطالعات داکینگ; Quinoline; Serotonin; Docking studies; Calcium flux; ERK;
Keywords: مطالعات داکینگ; Muscarinic receptor antagonists; Quinuclidine nucleus; 1,4-Dioxane nucleus; Hybrids; Docking studies; mAChRs; muscarinic acetylcholine receptors; TM; transmembrane segments; PI; phosphoinositol; COPD; chronic obstructive pulmonary disease; m-CPBA; meta-ch
Keywords: مطالعات داکینگ; Tubulin; Colchicine; Microtubules; Abnormal polymerization; Cytotoxicity; Docking studies;
Keywords: مطالعات داکینگ; Scaffold hopping; Synthesis; Cannabinoid receptors; CB2 antagonism; ADME model; Docking studies;
Keywords: مطالعات داکینگ; Hydrazinyl carbothioamides; Antimicrobial activity; Docking studies; Green synthesis; Spectral studies
Keywords: مطالعات داکینگ; 1,3,4-Thiadiazole derivatives; Tyrosinase inhibitory activities; Inhibition kinetics; Docking studies;
Keywords: مطالعات داکینگ; Proteasome inhibitors; Non-covalent; Peptide scaffold; Docking studies; Virtual screening; AMC; 7-amino-4-methylcoumarin; ChT-L; chymotrypsin-like; DMSO; dimethylsulfoxide; HMBC; Heteronuclear multi-bond correlations; HSQC; Heteronuclear single-quantum co
Keywords: مطالعات داکینگ; Lysozyme; Rhodamine B; Fluorescence spectroscopy; Circular dichroism; Docking studies; Fluorescence resonance energy transfer;
Keywords: مطالعات داکینگ; 4-Thiazolidinone; Synthesis; Urease inhibition; Docking studies
Keywords: مطالعات داکینگ; Docking studies; Synthesis; Protein-protein interactions; Antiviral activity;
Keywords: مطالعات داکینگ; Aminoquinoline; Antimalarial activity; Heme binding studies; Docking studies
Keywords: مطالعات داکینگ; Oxindole; Urease activity; Docking studies; Novel derivatives;
Keywords: مطالعات داکینگ; SERMs; Ospemifene; Tamoxifen; Anti-breast cancer agents; Docking studies
Keywords: مطالعات داکینگ; Pyrazolobenzothiazine; Benzimidazole; Hybrid compounds; Cholinesterases; Docking studies
Keywords: مطالعات داکینگ; Benzopyrones; Anticancer; Docking studies; Casein kinase II
Keywords: مطالعات داکینگ; Glycyrrhetinic acid; Ellman's test; Cholinesterase inhibitors; Docking studies;
Keywords: مطالعات داکینگ; Peptidomimetic boronates; Proteasome inhibitors; Docking studies; ChT-L; chymotrypsin-like; T-L; trypsin-like; PGPH; post-glutamyl peptide hydrolyzing; DMSO; dimethyl sulfoxide; DMF; dimethylformamide; Pd2(dba)3; tris(benzylideneacetone)dipalladium; EDC;
Keywords: مطالعات داکینگ; Monoamine oxidase (MAO); Inhibitors; Isothiocyanate; Polyamine derivatives; Docking studies; BZA; benzylamine; tyramine; p-tyramine; MAO; monoamine oxidase; VAP-1; semicarbazide-sensitive amine oxidase/vascular-adhesion-protein-1; Bis-Bza-Diado; N1,N12-di
Keywords: مطالعات داکینگ; Choline kinase; Inhibitors; 3-Aminophenol; Docking studies;
Synthesis, photophysics and the binding studies of rhenium(I) diimine surfactant complexes with serum albumins: A spectroscopic and docking study approach
Keywords: مطالعات داکینگ; Rhenium(I) complex; Protein binding; Docking studies; FRET;
Structure elucidation, biological evaluation and molecular docking studies of 3-aminoquinolinium 2-carboxy benzoate- A proton transferred molecular complex
Keywords: مطالعات داکینگ; Single crystal; 3-aminoquinoline; Proton transfer; Docking studies;
Synthesis, α-amylase inhibitory potential and molecular docking study of indole derivatives
Keywords: مطالعات داکینگ; Synthesis; α-amylase; Indole; SAR. Thiourea; Docking studies;
Spiropyrrolidine/spiroindolizino[6,7-b]indole heterocyclic hybrids: Stereoselective synthesis, cholinesterase inhibitory activity and their molecular docking study
Keywords: مطالعات داکینگ; Spiropyrrolidines; Spiroindolizinoindoles; 1,3-Dipolar cycloaddition reaction; Alzheimer disease; AChE and BChE inhibitors; Docking studies;
Synthesis, X-ray crystal structure studies and molecular docking analysis of 2-(3,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole
Keywords: مطالعات داکینگ; Crystal structure; X-ray diffraction; Imidazole; Docking studies; Intermolecular interactions;
Synthesis, cytotoxic activity and DNA-binding properties of copper(II) complexes with terpyridine
Keywords: مطالعات داکینگ; Copper(II) complexes; Terpyridine; Cytotoxicity; DNA interaction; Docking studies;
Pyridazine-based heteroleptic copper(II) complexes as potent anticancer drugs by inducing apoptosis and S-phase arrest in breast cancer cell
Keywords: مطالعات داکینگ; DFT analysis; Docking studies; Anticancer activity; Apoptosis; Cell cycle arrest;
5-(1-Aryl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1H-tetrazoles: Synthesis, structural characterization, Hirshfeld analysis, anti-inflammatory and anti-bacterial studies
Keywords: مطالعات داکینگ; Pyrazolyl-tetrazoles; Docking studies; Cytotoxicity; Anti-inflammatory; Anti-bacterial assay;
Modelling studies determing the mode of action of anthelmintics inhibiting in vitro trehalose-6-phosphate phosphatase (TPP) of Anisakis simplex s.l
Keywords: مطالعات داکینگ; TPP; Anisakis simplex; Drug target; Docking studies; Ivermectin; Levamisole;
Cytotoxicity of AMANTADIG - a semisynthetic digitoxigenin derivative - alone and in combination with docetaxel in human hormone-refractory prostate cancer cells and its effect on Na+/K+-ATPase inhibition
Keywords: مطالعات داکینگ; Prostate cancer; AMANTADIG; Docetaxel; Synergistic effects; Na+K+-ATPase; Docking studies;
Synthesis, anticancer assessment on human breast, liver and colon carcinoma cell lines and molecular modeling study using novel pyrazolo[4,3-c]pyridine derivatives
Keywords: مطالعات داکینگ; 3-Cyanomethyl-4-cyano-5-amino-1H-pyrazole; 3-Aminopyrazolo[43-c]pyridine-4,6-dione; Pyrazolo[4,3-c]pyridines; Pyrazolo[4,5,1-ij][16]naphthyridines; Docking studies; Cytotoxic assay; MTT;
Synthesis of stable benzimidazole derivatives bearing pyrazole as anticancer and EGFR receptor inhibitors
Keywords: مطالعات داکینگ; Benzimidazole linked pyrazole; Anticancer; Apoptosis; Docking studies; Cardiomyopathy studies;
Synthesis, characterization, monoamine oxidase inhibition, molecular docking and dynamic simulations of novel 2,1-benzothiazine-2,2-dioxide derivatives
Keywords: مطالعات داکینگ; 2,1-Benzothiazine; 2,2-Dioxides; Hydrazones; Monoamine oxidases; Molecular dynamic simulations; Docking studies;
Synthesis, biological evaluation and molecular modeling of novel azaspiro dihydrotriazines as influenza virus inhibitors targeting the host factor dihydrofolate reductase (DHFR)
Keywords: مطالعات داکینگ; Azaspiro dihydrotriazine derivatives; Anti-influenza A and B viruses activity; Host (human) DHFR inhibition; Docking studies;
Potholing of the hydrophobic heme oxygenase-1 western region for the search of potent and selective imidazole-based inhibitors
Keywords: مطالعات داکینگ; Heme oxygenase-1 western region; HO-1 imidazole inhibitors; Docking studies; In silico profiling; ADME-Toxicity;
Human serum interactions with phenolic and aroma substances of Kaffir (Citrus hystrix) and Key lime (Citrus aurantifolia) juices
Keywords: مطالعات داکینگ; Polyphenols; HSA; Docking studies; Binding; Lime cultivars;
Haemostatic effects of latex from Croton sparsiflorus Morang, in vitro, in vivo, in silico approaches
Keywords: مطالعات داکینگ; Croton sparsiflorus; Blood clotting; FT-IR; DFT; Docking studies;
Design, synthesis, anti-inflammatory antitumor activities, molecular modeling and molecular dynamics simulations of potential naprosyn® analogs as COX-1 and/or COX-2 inhibitors
Keywords: مطالعات داکینگ; Synthesis; Naprosyn analogs; COX-1; COX-2; Anti-inflammatory activity; Antitumor screening; Docking studies; Dynamic simulations study; NCI cancer screening;
Aryl fluorosulfate analogues as potent antimicrobial agents: SAR, cytotoxicity and docking studies
Keywords: مطالعات داکینگ; Aryl-fluorosulfates; Antimicrobial; Docking studies; Cytotoxicity;
Hydroxymethyl bioisosteres of phenolic GluN2B-selective NMDA receptor antagonists: Design, synthesis and pharmacological evaluation
Keywords: مطالعات داکینگ; Docking studies; NMDA receptor; GluN2B antagonists; Ifenprodil binding site; Affinity; Selectivity; Cytoprotective activity; Structure-affinity relationships; Structure-activity relationships;
Novel sulfenamides and sulfonamides based on pyridazinone and pyridazine scaffolds as CB1 receptor ligand antagonists
Keywords: مطالعات داکینگ; Sulfenamides; Sulfonamides; CB1 antagonism; Diarylpyridazines; ADMET model; Docking studies;