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کلمات کلیدی: Docking


موارد یافت شده: 53

1 - Synthesis and Characterization of Various Novel Derivatives of Dipyrimido[4,5-b:4',5'-e][1,4]thiazepine and Their Theoretical Evaluation as 15-Lipoxygenase Inhibitor (چکیده)
2 - Suggestion of active 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents using predictive QSAR model based on the combination of ALASSO with an ANN model (چکیده)
3 - Kinetic and thermodynamic insights into the interaction of Aβ1–42 with astaxanthin and aggregation behavior of Aβ1–42: Surface plasmon resonance, microscopic, and molecular docking studies (چکیده)
4 - 2-Benzylidenebenzofuran-3(2H)-ones as a New Class of Alkaline Phosphatase Inhibitors: Synthesis, SAR Analysis, Enzyme Inhibitory Kinetics and Computational Studies (چکیده)
5 - LaCl3⋅7H2O as an Effective Catalyst for the Synthesis of α-Aminophosphonates under Solvent-Free Conditions and Docking Simulation of Ligand Bond Complexes of Cyclin-Dependent Kinase 2 (چکیده)
6 - Synthesis and HSA-interaction of a new mixed ligand Cu-isothiosemicarbazonato complex with adenine nucleobase (چکیده)
7 - Determination of kinetic and thermodynamic parameters of amyloid-b 1-42 interaction with astaxanthin (چکیده)
8 - Homology Modeling and Molecular Docking of the Leishmania Protein Kinase, E9BJT5, A New Target for Leishmaniasis Therapeutics (چکیده)
9 - Ellagic acid and human cancers: a systems pharmacology and docking study to identify principal hub genes and main mechanisms of action (چکیده)
10 - Synthesis, X-ray structure, antiproliferative activity, interaction with HSA and docking studies of three novel mono and binuclear copper complexes containing the maltol ligand (چکیده)
11 - In silico study of dynamic level interaction between CLF36 peptide and coronavirus surface protein in Bovine coronaviruses (چکیده)
12 - Three novel complexes of copper: synthesis, characterization, crystal structure, HSA-binding and docking studies, and antiproliferative activity (چکیده)
13 - Combination of least absolute shrinkage and selection operator with Bayesian Regularization artificial neural network (LASSO-BR-ANN) for QSAR studies using functional group and molecular docking mixed descriptors (چکیده)
14 - Terpyridine-metal complexes: Effects of different substituents on their physico-chemical properties and DFT studies (چکیده)
15 - Exploring 3-Hydroxyflavone Scaffolds as Mushroom Tyrosinase Inhibitors: Synthesis, X-Ray Crystallography, Antimicrobial, Fluorescence Behaviour, Structure-Activity Relationship and Molecular Modelling Studies (چکیده)
16 - Spectral, structural, biological and molecular docking studies of a new mixed-valence V(IV)/V(V) ofloxacin complex (چکیده)
17 - HSA-interaction studies of uranyl complexes of alkyl substituted isothiosemicarbazone (چکیده)
18 - Antioxidant and angiotensin-converting enzyme -ACE- inhibitory activity of thymosin alpha-1 -Thα1- peptide (چکیده)
19 - Molecular modeling and experimental study of a new peptide-based microextraction fiber for preconcentrating morphine in urine samples (چکیده)
20 - Synthesis and molecular docking of novel N-2 -chloroquinolin-3-yl-methylene-4-methylbenzenamine derivatives as anti -HIV-1 reverse transcriptase inhibitors nhibitorsnhibitors (چکیده)
21 - Binding of β-carotene to whey proteins: Multi-spectroscopic techniques and docking studies (چکیده)
22 - The Importance of Recognizing Binding Sites and Introducing Methods for Identification of them (چکیده)
23 - Bioinformatics analysis of upstream regions and protein structure of fungal phytase gene (چکیده)
24 - Virtual screening of some heterocyclic structures toward novel antibacterial agents (چکیده)
25 - The inhibitory activity of HL-7 and HL-10 peptide from scorpion venom ( Hemiscorpius lepturus ) on angiotensin converting enzyme: Kinetic and docking study (چکیده)
26 - An in-silico expression assay of the MAGE family in malignances (چکیده)
27 - An in-silico expression assay of the MAGE family in malignances (چکیده)
28 - Synthesis, spectral characterization, DFT calculations, antimicrobial activity and molecular docking of 4-bromo-2-((2-hydroxy-5- methylphenylimino)methyl)phenol and its V(V) complex (چکیده)
29 - Synthesis and Docking Analysis of New Heterocyclic System N1, N4-bis ((2-chloroquinolin-3-yl) methylene) benzene-1, 4-diamine as Potential Human AKT1 Inhibitor (چکیده)
30 - 2-Prenylated m -Dimethoxybenzenes as Potent Inhibitors of 15-Lipoxygenase: Inhibitory Mechanis m and SAR studies (چکیده)
31 - Synthesis of novel 3‑ substituted‑ 5H‑ benzo [5,6][1, 4] thiazino [3,2‑e][1,2,4] triazines and their 15‑ lipoxygenase inhibitory activity (چکیده)
32 - Synthesis, Characterization and Application of [1-Methylpyrrolidin-2-one‐SO3H] Cl as an Efficient Catalyst for the Preparation of α- Aminophosphonate and Docking Simulation of Ligand Bond Complexes of Cyclin- Dependent Kinase 2 (چکیده)
33 - Biochemical characterization of a novel antioxidant and angiotensin I-converting enzyme inhibitory peptide from Struthio camelus egg white protein hydrolysis (چکیده)
34 - Synthesis, characterization and biological evaluation of novel unsaturated amides (چکیده)
35 - A bioinformatic approach to check the spatial epitope structure of an immunogenic protein coded by DNA vaccine plasmids (چکیده)
36 - Synthesis, Characterization, and Docking Evaluations of New Derivatives of Pyrimido[4,5-c]pyridazine as Potential Human AKT1 Inhibitors (چکیده)
37 - Dipyrimido[4,5‑b:5,4‑e][1,4]thiazine: synthesis and their enzyme inhibitory activity assessment on soybean 15‑lipoxygenase (چکیده)
38 - Synthesis and docking analysis of new 2-chloro-3-((2,2-dimethylhydrazono) methyl)quinoline derivatives as non-nucleoside human HIV-1 reverse transcriptase inhibitors (چکیده)
39 - Synthesis and Evaluation of a New Series of 3,5-bis ((5-bromo-6-methyl-2- t-aminopyrimidin-4-yl)thio)-4 H-1,2,4-triazol-4-amines and their Cyclized Products ‘Pyrimidinylthio Pyrimidotriazolothiadiazines’ as 15- Lipo-Oxygenase Inhibitors (چکیده)
40 - Synthesis and docking analysis of new heterocyclic system of tetrazolo[5',1':2,3][1,3,4]thiadiazepino [7,6-b]quinolines as aldose reductase inhibitors (چکیده)
41 - Spectroscopic and molecular modeling study on the separate and simultaneous bindings of alprazolam and fluoxetine hydrochloride to human serum albumin (HSA): W ith the aim of the drug interactions probing (چکیده)
42 - Potential angiotensin I converting enzyme inhibitory peptides from gluten hydrolysate: Biochemical characterization and molecular docking study (چکیده)
43 - Design, synthesis and SAR studies of new methyl chavicol derivatives as potent 15-lipoxygenase inhibitors (چکیده)
44 - Molecular docking studies on the binding properties of TR-14 peptide to angiotensin converting enzyme (چکیده)
45 - Study of engineered Taka Alpha Amylase by means of molecular (چکیده)
46 - Synthesis and SAR comparative studies of 2-allyl-4-methoxy-1-alkoxybenzenes as 15-lipoxygenase inhibitors (چکیده)
47 - Design, synthesis and SAR studies of 4-allyoxyaniline amides as potent 15-lipoxygensae inhibitors (چکیده)
48 - Design, synthesis and pharmacological evaluation of 6-hydroxy-4-methylquinolin-2(1H)-one derivatives as inotropic agents (چکیده)
49 - Coupling molecular dynamics and docking simulations to identification ligand binding sites (چکیده)
50 - Design, synthesis, and structure–activity relationship study of 5-amido-1-(2,4-dinitrophenyl)-1H-4- pyrazolecarbonitrils as DD-carboxypeptidase/ penicillin-binding protein inhibitors with Gram-positive antibacterial activity (چکیده)
51 - Prediction of residues on bovine carbonic anhydrase as ding sites in reacting with sodium dodecyl sulfate based on molecular dynamics and docking simulations (چکیده)
52 - Design, synthesis and biological evaluation of 6-(benzyloxy)-4-methylquinolin-2(1H)-one derivatives as PDE3 inhibitors (چکیده)
53 - Design and synthesis of eugenol derivatives, as potent 15-lipoxygenase inhibitors (چکیده)