„docking“
Suchergebnisse
7.903 Treffer
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Unraveling the therapeutic potential of latex-derived phytocomponents from Calotropis gigantea and Euphorbia hirta as anti-diabetic agents targeting α-amylase: chemical profiling, in-silico docking, molecular simulation dynamics, fluorescent quenching and wet lab validation
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Synthesis of thiophene-based imine and phosphoazometine compounds: in vitro antiproliferative, antimicrobial, antioxidant, carbonic anhydrase I and II enzyme inhibition evaluations and molecular docking study
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Molecular docking, toxicity assessment and theoretical analysis of the cycloaddition of cyclopenta-1,3-diene with fluorescent enones: catalytic effect and stereoselective implications
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Assessment of fragment docking and scoring with the endothiapepsin model system
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Synthesis, Characterization, and Comprehensive In Vitro and In Silico Evaluation of the Anti‐Inflammatory Potential of Novel 1,2,3‐Triazole–Arylidenehydrazide/Thiazolidinone Hybrids
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Development of 1,2,3‐Triazoles as Dual Enzyme Inhibitors Targeting α‐Amylase and α‐Glucosidase for Type 2 Diabetes Intervention
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Drug Repurposing Investigation for Combating Ebola Virus Disease: Database Mining, Docking Calculations, Molecular Dynamics, and Density Functional Theory Study
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Recent Insights in Multi‐Target Drugs in Pharmacology and Medicinal Chemistry
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Synthesis, cytotoxic screening and molecular docking, DFT calculation of novel furan-heterocyclic derivatives as insecticidal agents
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Elucidating the binding mechanism of 1,4-bis[(3-Piperidino)propanamido]anthracen-9,10-dione (1,4-BPAQ) to human telomeric G-quadruplexes: a multi-technique approach including spectroscopic, calorimetric and molecular docking insights
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Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis
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Insights Into the Inhibitory Activity and Mechanism of Food Colorants Tartrazine and Sunset Yellow on Xanthine Oxidase by Multiple Spectroscopic Techniques and Molecular Docking
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Targeting monkeypox virus (MPXV): strategies for molecular docking studies on protein inhibition
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Molecular Docking with Interleukin-2 and Regression Analysis in a Study of the Structure–Activity (Analgesic) Relationship of 5-N-arylaminocarbonyl-6-(het)aryl-4-methyl-1,2,3,6-tetrahydropyrimidine-2-thiones
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Docking and Molecular Dynamics Simulation‐Based Analysis of Advanced Small‐Molecule Kinase Inhibitors Identified pre‐ let ‐ 7 miRNA Binders
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Exploring the Potential Mechanism of Action of Ursolic Acid for Parkinson’s Disease: An Integrative Network Pharmacology, Docking and Molecular Dynamics Study
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In Silico study of PDE10A inhibitors for schizophrenia: molecular docking, ADMET and DFT analysis
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Tectoridin modulates intertwined molecular pathways in metabolic syndrome: insights from network pharmacology, molecular docking, and in vivo studies
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Design and synthesis of novel pyridopyrimidine moieties linked to coumarin ring of potentially active cytotoxic agents and their docking study
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C1′‐Branched Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium Falciparum 6‐Oxopurine Phosphoribosyltransferase