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docking analyses  (TargetMol)


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    Structured Review

    TargetMol docking analyses
    Docking Analyses, supplied by TargetMol, used in various techniques. Bioz Stars score: 95/100, based on 108 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/docking+analyses/Bioactive+Compound+Library/pmc12847277-87-36-40
    Average 95 stars, based on 108 article reviews
    docking analyses - by Bioz Stars, 2026-10
    95/100 stars

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    Related Articles

    Inhibition:

    Article Title: Computer-Aided Discovery of Small-Molecule Inhibitors of Pathogenic New World Arenavirus Entry and Replication
    Article Snippet: The luminescence emitted from each well was measured using a BioTek Synergy LX multimode microplate reader (Agilent), and relative luminescence units were normalized to the average luminescence of vehicle control wells for each experiment. .. Follow-up pseudotyped LASV 22f viral entry inhibition assays and parallel cell viability assays were performed similarly, with the addition of LHF-535 (TargetMol) as a positive control entry inhibitor for OW arenavirus entry, which was prepared in the same vehicle control solution. .. Time-of-addition viral yield assays were performed by treating confluent A549 human epithelial lung cells with a final concentration of either 50 μM 22f , 200 nM ch128.1 IgG1, or the vehicle control Minimum Essential Media (MEM; Thermo Fisher Scientific), all containing 0.25% DMSO.

    Positive Control:

    Article Title: Computer-Aided Discovery of Small-Molecule Inhibitors of Pathogenic New World Arenavirus Entry and Replication
    Article Snippet: The luminescence emitted from each well was measured using a BioTek Synergy LX multimode microplate reader (Agilent), and relative luminescence units were normalized to the average luminescence of vehicle control wells for each experiment. .. Follow-up pseudotyped LASV 22f viral entry inhibition assays and parallel cell viability assays were performed similarly, with the addition of LHF-535 (TargetMol) as a positive control entry inhibitor for OW arenavirus entry, which was prepared in the same vehicle control solution. .. Time-of-addition viral yield assays were performed by treating confluent A549 human epithelial lung cells with a final concentration of either 50 μM 22f , 200 nM ch128.1 IgG1, or the vehicle control Minimum Essential Media (MEM; Thermo Fisher Scientific), all containing 0.25% DMSO.

    Article Title: A Multifunctional Electrospun Membrane for Full-Thickness Abdominal Wall Defect Repair.
    Article Snippet: Electrospun nanofiber membranes hold promise for abdominal wall repair due to their biomimetic architecture and tunable properties.. However, their porous structure often induces an elevated foreign body response (FBR) that impedes tissue integration and remodeling.. While previous strategies have employed ibuprofen (IBU) to mitigate inflammation, its nonselective cyclooxygenase (COX) inhibition and rapid systemic clearance limit local therapeutic efficacy.

    Article Title: Use of pyrido[1,2-a]pyrimidone analogue
    Article Snippet: F12 Culture medium (purchased from Gibco, product number: 11765-054); (3) Test Article and Positive Control Article Test article: compound I; Positive control article: Cisplatin, molecular weight: 300.05; solvent: PBS (phosphate buffer saline); storage condition: 2-8° C.; supplier: Qilu Pharmaceutical. .. Positive control article: Alpelisib, molecular weight: 441.47; solvent: DMSO; supplier: Shanghai TOPSCIENCE Biochemical Technology Co., Ltd., CAS number: 1217486-61-7; 2. ..

    Control:

    Article Title: Computer-Aided Discovery of Small-Molecule Inhibitors of Pathogenic New World Arenavirus Entry and Replication
    Article Snippet: The luminescence emitted from each well was measured using a BioTek Synergy LX multimode microplate reader (Agilent), and relative luminescence units were normalized to the average luminescence of vehicle control wells for each experiment. .. Follow-up pseudotyped LASV 22f viral entry inhibition assays and parallel cell viability assays were performed similarly, with the addition of LHF-535 (TargetMol) as a positive control entry inhibitor for OW arenavirus entry, which was prepared in the same vehicle control solution. .. Time-of-addition viral yield assays were performed by treating confluent A549 human epithelial lung cells with a final concentration of either 50 μM 22f , 200 nM ch128.1 IgG1, or the vehicle control Minimum Essential Media (MEM; Thermo Fisher Scientific), all containing 0.25% DMSO.

    other:

    Article Title: Cell Painting in activated cells illuminates phenotypic dark space and drug mechanisms of action
    Article Snippet: We obtained a library of 8,387 bioactive compounds (L4000-CUST, listed in Supplementary Data 1) from TargetMol.

    Article Title: P2Y12-oriented computational screening and functional validation identify antiplatelet compounds with antithrombotic activity.
    Article Snippet: AutoDock Vina10 was used to dock the compound into the protein pocket and choose the best docking pose for the next analysis.

    Membrane:

    Article Title: A Multifunctional Electrospun Membrane for Full-Thickness Abdominal Wall Defect Repair.
    Article Snippet: Electrospun nanofiber membranes hold promise for abdominal wall repair due to their biomimetic architecture and tunable properties.. However, their porous structure often induces an elevated foreign body response (FBR) that impedes tissue integration and remodeling.. While previous strategies have employed ibuprofen (IBU) to mitigate inflammation, its nonselective cyclooxygenase (COX) inhibition and rapid systemic clearance limit local therapeutic efficacy.

    Sterility:

    Article Title: A Multifunctional Electrospun Membrane for Full-Thickness Abdominal Wall Defect Repair.
    Article Snippet: Electrospun nanofiber membranes hold promise for abdominal wall repair due to their biomimetic architecture and tunable properties.. However, their porous structure often induces an elevated foreign body response (FBR) that impedes tissue integration and remodeling.. While previous strategies have employed ibuprofen (IBU) to mitigate inflammation, its nonselective cyclooxygenase (COX) inhibition and rapid systemic clearance limit local therapeutic efficacy.

    Molecular Weight:

    Article Title: Use of pyrido[1,2-a]pyrimidone analogue
    Article Snippet: F12 Culture medium (purchased from Gibco, product number: 11765-054); (3) Test Article and Positive Control Article Test article: compound I; Positive control article: Cisplatin, molecular weight: 300.05; solvent: PBS (phosphate buffer saline); storage condition: 2-8° C.; supplier: Qilu Pharmaceutical. .. Positive control article: Alpelisib, molecular weight: 441.47; solvent: DMSO; supplier: Shanghai TOPSCIENCE Biochemical Technology Co., Ltd., CAS number: 1217486-61-7; 2. ..

    Solvent:

    Article Title: Use of pyrido[1,2-a]pyrimidone analogue
    Article Snippet: F12 Culture medium (purchased from Gibco, product number: 11765-054); (3) Test Article and Positive Control Article Test article: compound I; Positive control article: Cisplatin, molecular weight: 300.05; solvent: PBS (phosphate buffer saline); storage condition: 2-8° C.; supplier: Qilu Pharmaceutical. .. Positive control article: Alpelisib, molecular weight: 441.47; solvent: DMSO; supplier: Shanghai TOPSCIENCE Biochemical Technology Co., Ltd., CAS number: 1217486-61-7; 2. ..

    Screening:

    Article Title: Discovery of tepotinib as a novel LY75-targeting small-molecule inhibitor with anti-tumor activity in ovarian cancer via virtual screening
    Article Snippet: .. Preprocessing of the small-molecule library and virtual screening The commercially available TargetMol Bioactive Compound Library (L4000), containing 17,284 small molecules, was used in this study. ..

    Drug discovery:

    Article Title: Discovery of tepotinib as a novel LY75-targeting small-molecule inhibitor with anti-tumor activity in ovarian cancer via virtual screening
    Article Snippet: .. Preprocessing of the small-molecule library and virtual screening The commercially available TargetMol Bioactive Compound Library (L4000), containing 17,284 small molecules, was used in this study. ..



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