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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: 97/100, based on 107 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 97 stars, based on 107 article reviews
    docking analyses - by Bioz Stars, 2026-11
    97/100 stars

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    Related Articles

    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.

    Article Title: MD2-IN-1 restores microglial lysosomal function and attenuates amyloid pathology through TREM2-associated signaling in 5×FAD mice.
    Article Snippet: Triggering receptor expressed on myeloid cells 2 (TREM2) is a central regulator of microglial adaptation during Alzheimer’s disease (AD), yet the development of small-molecule modulators associated with TREM2 signaling remains limited.. Here, through a consensus pharmacophore-guided virtual screening strategy, MD2-IN-1 was identified as a candidate small molecule associated with TREM2 signaling.. Biolayer interferometry and cellular thermal shift assays supported cellular target engagement related to TREM2 (KD= 13.85 μM).

    Positive Control:

    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. ..

    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. ..

    Drug discovery:

    Article Title: Targeting the CD4 + effector memory T cells re-expressing CD45RA suppressor galectin-7: a multi-omics-guided therapeutic strategy for idiopathic pulmonary fibrosis.
    Article Snippet: .. A library of approximately 20,000 bioactive compounds (TargetMol Bioactive Compound Library) was prepared using the LigPrep module (Schrödinger, LLC, New York, NY, 2021). ..

    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. ..

    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. ..



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