نمایش نتایج جستجو برای
کلمات کلیدی: molecular docking
موارد یافت شده: 39
1 - Unveiling the chemical composition, antioxidant and antibacterial properties, and mechanistic insights of Convolvulus arvensis extract through molecular docking simulations (چکیده)2 - Investigating the anticancer properties of six benzothiazolopyrimidine derivatives on colon carcinoma cells, in vitro and in vivo (چکیده)
3 - β-amino alcohols as promising inhibitory candidates against the SARS-CoV-2, A theoretical design based on MD simulation and DFT insights (چکیده)
4 - Immobilization of Ni nanoparticles on pyridine-functionalized MWCNTs for indirect synthesis of benzimidazoles and quinazolinones, and their molecular docking studies as effective inhibitors of α-glucosidase (چکیده)
5 - Investigation of binding potential between human myostatin and horse follistatin (چکیده)
6 - In silico investigation of the effectiveness of DEP A enzyme on nivalenol mycotoxin (چکیده)
7 - Influence of fluorine substitution on the molecular structure, vibrational assignment, Cu–O bond strength and biological properties by comparing copper (II) trifluorobenzoylacetonate and benzoylacetonate complexes (چکیده)
8 - Synthesis, molecular docking and dynamics studies of pyridazino[4,5- b ]quinoxalin-1(2 H )-ones as targeting main protease of COVID-19 (چکیده)
9 - Structural, theoretical investigations and HSA-interaction studies of three new copper(II) isothiosemicarbazone complexes (چکیده)
10 - New insights on the binding of butyl-paraben to trypsin: experimental and computational approaches (چکیده)
11 - Molecular docking of bacteriocin enterocin P peptide with mastitis-causing E. coli antigen in cattle (چکیده)
12 - Evaluation of interaction between Ponceau 4R (P4R) and trypsin using kinetic, spectroscopic, and molecular dynamics simulation methods (چکیده)
13 - Identification of a new splice-acceptor mutation in HFM1 and functional analysis through molecular docking in nonobstructive azoospermia (چکیده)
14 - Molecular docking of Enterocin-P peptide with DNA: an in silico study (چکیده)
15 - The investigation of inhibiting horse myostatin with human follistatin by molecular docking method (چکیده)
16 - Application of the LAD-LASSO as a dimensional reduction technique in the ANN-based QSAR study: Discovery of potent inhibitors using molecular docking simulation (چکیده)
17 - 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)
18 - 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)
19 - 2-Benzylidenebenzofuran-3(2H)-ones as a New Class of Alkaline Phosphatase Inhibitors: Synthesis, SAR Analysis, Enzyme Inhibitory Kinetics and Computational Studies (چکیده)
20 - 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)
21 - Determination of kinetic and thermodynamic parameters of amyloid-b 1-42 interaction with astaxanthin (چکیده)
22 - Homology Modeling and Molecular Docking of the Leishmania Protein Kinase, E9BJT5, A New Target for Leishmaniasis Therapeutics (چکیده)
23 - Ellagic acid and human cancers: a systems pharmacology and docking study to identify principal hub genes and main mechanisms of action (چکیده)
24 - In silico study of dynamic level interaction between CLF36 peptide and coronavirus surface protein in Bovine coronaviruses (چکیده)
25 - 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)
26 - Terpyridine-metal complexes: Effects of different substituents on their physico-chemical properties and DFT studies (چکیده)
27 - Exploring 3-Hydroxyflavone Scaffolds as Mushroom Tyrosinase Inhibitors: Synthesis, X-Ray Crystallography, Antimicrobial, Fluorescence Behaviour, Structure-Activity Relationship and Molecular Modelling Studies (چکیده)
28 - HSA-interaction studies of uranyl complexes of alkyl substituted isothiosemicarbazone (چکیده)
29 - Antioxidant and angiotensin-converting enzyme -ACE- inhibitory activity of thymosin alpha-1 -Thα1- peptide (چکیده)
30 - Molecular modeling and experimental study of a new peptide-based microextraction fiber for preconcentrating morphine in urine samples (چکیده)
31 - The Importance of Recognizing Binding Sites and Introducing Methods for Identification of them (چکیده)
32 - Bioinformatics analysis of upstream regions and protein structure of fungal phytase gene (چکیده)
33 - The inhibitory activity of HL-7 and HL-10 peptide from scorpion venom ( Hemiscorpius lepturus ) on angiotensin converting enzyme: Kinetic and docking study (چکیده)
34 - 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)
35 - Biochemical characterization of a novel antioxidant and angiotensin I-converting enzyme inhibitory peptide from Struthio camelus egg white protein hydrolysis (چکیده)
36 - Synthesis, characterization and biological evaluation of novel unsaturated amides (چکیده)
37 - 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)
38 - Design, synthesis and SAR studies of new methyl chavicol derivatives as potent 15-lipoxygenase inhibitors (چکیده)
39 - Molecular docking studies on the binding properties of TR-14 peptide to angiotensin converting enzyme (چکیده)
