„docking“
Suchergebnisse
7.903 Treffer
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Synthesis, Antimicrobial Activity, and Molecular Docking Study of Novel (E)-1-(5-Chloro-2-hydroxyphenyl)-3-{5-fluoro-2-[(1-phenyl-1H-1,2,3-triazol-4-yl)methoxy]phenyl}-prop-2-en-1-one Derivatives
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Molecular docking and biological evaluation of a novel IWS1 inhibitor for the treatment of human retroperitoneal liposarcoma
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Integrated network pharmacology, molecular docking and experimental validation to explore the mechanism of Dingji Fumai Decoction against LQTS
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Computational study of the therapeutic properties of allicin and its nanocomplexes using DFT and molecular docking techniques
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Using network toxicology and molecular docking to identify core targets and pathways underlying tacrolimus-induced tremor in organ transplant recipients
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Synthesis, biological evaluation, pharmacological profiling, and molecular docking studies of 4-Aminocoumarin based phenyliodonium derivatives as potent therapeutic agents
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Efficacy and potential mechanisms of jatrorrhizine on MNNG-induced chronic atrophic gastritis in rats based on serological metabolomics and molecular docking
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Computational exploration of Eucommia ulmoides flavonoids as potential RANKL inhibitors via molecular docking and dynamics simulations
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To reveal the key mechanism of Citri Reticulatae Pericarpium–Reynoutria japonica Houtt in the treatment of liver cancer and its correlation with lipid metabolism: synergetic effect with network pharmacology, molecular docking and bioinformatics
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Exploring the toxicological effects of DOTP exposure on periodontitis by combining molecular docking and molecular dynamics simulations
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Unveiling Calotropis procera’s promising wound healing secrets by QSAR, molecular docking, DFT and ADMET profiling
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Network toxicology and molecular docking reveal the potential link between acrylamide exposure and breast cancer
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Novel bivalent transition metal complexes based on a 2-amino-3-hydroxypyridine Schiff base ligand: synthesis elucidation, antimicrobial evaluation, antioxidant and molecular docking studies
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Identification of potential COVID-19 Mpro inhibitors through covalent drug docking, molecular dynamics simulation, and MMGBSA calculation
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Repurposing FDA approved drugs for psoriasis indications through integrated molecular docking, one-SVM algorithm, and molecular dynamics simulation approaches
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Gastroprotective effect of ethanol extract of Ficus virens Aiton bark in ethanol induced in vivo ulcer model and exploring mechanism via molecular docking studies
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Theophylline Hydrogen Sulfate as a Highly Efficient Catalyst for the Synthesis of Quinoxaline Derivatives: Exploring Potential Antidiabetic Agents Through Molecular Docking
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Piperazine-thiophene hybrid as a promising SGLT2 inhibitor: insights from DFT and molecular docking studies
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Quantum algorithm for protein-ligand docking sites identification in the interaction space
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Synthesis of Urea‐Containing Derivatives and their Application as Potential Anti‐Methicillin‐Resistant Staphylococcus Aureus Agents