„docking“
Suchergebnisse
7.903 Treffer
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Design, synthesis, molecular docking and anticancer activity evaluation of methyl salicylate based thiazoles as PTP1B inhibitors
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Evaluation of the Antifungal Properties of Azomethine‐Pyrazole Derivatives from a Structural Perspective
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Bioprospecting hydroxylated chalcones in in vitro model of ischemia-reoxygenation and probing NOX4 interactions via molecular docking
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Antibacterial, anthelmintic, and analgesic activities of Piper sylvaticum (Roxb.) leaves and in silico molecular docking and PASS prediction studies of its isolated compounds
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Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis
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Structural design, accuracy analysis, and mechanical calibration of a small two-component docking mechanism for large loads in space
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Evaluation of natural compounds as folate biosynthesis inhibitors in Mycobacterium leprae using docking, ADMET analysis, and molecular dynamics simulation
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Pharmacognostic analysis and antimalarial evaluation of quercetin in Ilex umbellulata bark using HPTLC, in vitro screening, molecular docking, and network pharmacology
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Benzimidazole Derivatives as Potential CDK2 Inhibitors: Synthesis, Molecular Docking, and Antiproliferative Investigations
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Synthesis of Novel Triazolethione-, Thiadiazole-, and Triazole-Functionalized Quinazolin-4(3H)-one Derivatives and Their Antimicrobial Activity and Docking Studies
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Antifungal activity and biocompatibility assessment with molecular docking and dynamic simulations of new pyrazole derivatives
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Highly Efficient Synthesis of 1,3,5-Oxadiazinan-4-one and 5-Methyl-1,3,5-triazinan-2-one Derivatives of Benzimidazolyl Pyrimidine and Their Activity Analysis through Docking Studies
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Treatment of oxidative damage caused by valproic acid in tongue tissue with ethanolic Moringa oleifera leaves extract and prediction of potential bioactive molecules with molecular docking
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Exploring the anticancer potential of Hewittia malabarica through phytochemical analysis and molecular docking study
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Synthetic Strategies and Structure Activity Relationships (SAR) of Biologically Active Coumarin‐Based Hybrids
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Mycochemistry, antioxidant, anticancer activity, and molecular docking of compounds of F12 of ethyl acetate extract of Astraeus asiaticus with BcL2 and Caspase 3
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Diverse capability of chemically exfoliated 2D MoS2 nanosheets for photocatalytic, adsorption and antibacterial applications supported by in silico molecular docking
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In vitro α-amylase and α-glucosidase inhibitors study of Cymbopogon martinii essential oil and molecular docking study of predominant components, PASS prediction and ADME/Tox studies
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Multi-stage structure-based virtual screening approach combining 3D pharmacophore, docking and molecular dynamic simulation towards the identification of potential selective PARP-1 inhibitors
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Mechanistic study of nitrone and maleimide [3 + 2] cycloaddition: a combined DFT, BET study, docking, and ADMET approach from the MEDT perspective