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targetmol bioactive compound library  (TargetMol)


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    TargetMol targetmol bioactive compound library
    Targetmol Bioactive Compound Library, supplied by TargetMol, used in various techniques. Bioz Stars score: 95/100, based on 104 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/compound+targetmol+bioactive+library/Bioactive+Compound+Library/pm41866544-110-1-1
    Average 95 stars, based on 104 article reviews
    targetmol bioactive compound library - by Bioz Stars, 2026-10
    95/100 stars

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    Article Title: Isoginkgetin as a novel USP8 inhibitor discovered by structure-based virtual screening exerts anticancer effects in ovarian cancer.
    Article Snippet: Ubiquitin-specific protease 8 (USP8) gene has been identified as being significantly amplified and overexpressed in Ovarian carcinoma (OC), and thus led to unfavorable clinical outcomes, implying that inhibition of USP8 may be a therapeutic strategy for OC.. Herein, a structure-based discovery and bioassays were conducted to identify novel inhibitors of USP8. we employed a novel platform that integrates docking/molecular dynamics (MD) simulation/binding free energy calculations/root-mean-square deviation (RMSD)/USP8 enzyme activity assay to screen a library of bioactive compounds including 30000 compounds. we identified that Isoginkgetin exhibited promising inhibitory activity on USP8 with an IC50 value of 12.68 μM.. Moreover, Isoginkgetin could significantly inhibit OC cell growth by suppressing cell proliferation and reducing colony formation, and promoting Fe2+ accumulation, ROS production, thereby triggering cell death.



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    Compound treatment phase, mTOR inhibitors disrupt baseline TEER of APOE4 -brain endothelial cells. APOE4 -brain endothelial cells were treated for 24 h with 1 µM of 900 + compounds selected from the TargetMol <t>Bioactive</t> Library. A Capacitance was > 4nF for 11 compounds, 4 of which inhibit cell cycle pathways (CDK, purple dots) and 3 PI3K/Akt/mTOR (blue dots). B , C Relative change and percentage activity of compounds. We identified compounds that either increased (light green dots, 5 compounds) or decreased (brown dots, 34 compounds) baseline TEER. 22 were inhibitors of mTOR/PI3K (blue dots) including rapamycin (arrow). E - I The ability of mTOR activators (NV-5138, L-leucine, 3BDO, MHY1485) to modulate LPS-induced TEER disruption was evaluated. E , G Compound treatment phase. E. High concentrations of mTOR activators were either toxic (2 mM L-leucine; 200 µM 3BDO) or F. disrupted TEER (100 µM 3BDO). H , I LPS Phase. High concentrations of NV-5138 (10 µM) mitigated LPS-induced TEER disruption. Data analyzed by one-Way ANOVA/matched Mixed-effects model (REML) followed by Dunnet’s multiple comparisons test comparing a compound concentration to the control group. In the compound treatment phase ( F ), * p < 0.05 for a given compound concentration compared to vehicle. In the LPS treatment phase ( H ), * p < 0.05 for a given compound concentration + LPS compared to the vehicle plus LPS group. n = 3. Upper lines indicate the concentrations different from LPS control for each compound. All statistical analysis is provided in Additional File 2
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    Compound treatment phase, mTOR inhibitors disrupt baseline TEER of APOE4 -brain endothelial cells. APOE4 -brain endothelial cells were treated for 24 h with 1 µM of 900 + compounds selected from the TargetMol <t>Bioactive</t> Library. A Capacitance was > 4nF for 11 compounds, 4 of which inhibit cell cycle pathways (CDK, purple dots) and 3 PI3K/Akt/mTOR (blue dots). B , C Relative change and percentage activity of compounds. We identified compounds that either increased (light green dots, 5 compounds) or decreased (brown dots, 34 compounds) baseline TEER. 22 were inhibitors of mTOR/PI3K (blue dots) including rapamycin (arrow). E - I The ability of mTOR activators (NV-5138, L-leucine, 3BDO, MHY1485) to modulate LPS-induced TEER disruption was evaluated. E , G Compound treatment phase. E. High concentrations of mTOR activators were either toxic (2 mM L-leucine; 200 µM 3BDO) or F. disrupted TEER (100 µM 3BDO). H , I LPS Phase. High concentrations of NV-5138 (10 µM) mitigated LPS-induced TEER disruption. Data analyzed by one-Way ANOVA/matched Mixed-effects model (REML) followed by Dunnet’s multiple comparisons test comparing a compound concentration to the control group. In the compound treatment phase ( F ), * p < 0.05 for a given compound concentration compared to vehicle. In the LPS treatment phase ( H ), * p < 0.05 for a given compound concentration + LPS compared to the vehicle plus LPS group. n = 3. Upper lines indicate the concentrations different from LPS control for each compound. All statistical analysis is provided in Additional File 2
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    Compound treatment phase, mTOR inhibitors disrupt baseline TEER of APOE4 -brain endothelial cells. APOE4 -brain endothelial cells were treated for 24 h with 1 µM of 900 + compounds selected from the TargetMol Bioactive Library. A Capacitance was > 4nF for 11 compounds, 4 of which inhibit cell cycle pathways (CDK, purple dots) and 3 PI3K/Akt/mTOR (blue dots). B , C Relative change and percentage activity of compounds. We identified compounds that either increased (light green dots, 5 compounds) or decreased (brown dots, 34 compounds) baseline TEER. 22 were inhibitors of mTOR/PI3K (blue dots) including rapamycin (arrow). E - I The ability of mTOR activators (NV-5138, L-leucine, 3BDO, MHY1485) to modulate LPS-induced TEER disruption was evaluated. E , G Compound treatment phase. E. High concentrations of mTOR activators were either toxic (2 mM L-leucine; 200 µM 3BDO) or F. disrupted TEER (100 µM 3BDO). H , I LPS Phase. High concentrations of NV-5138 (10 µM) mitigated LPS-induced TEER disruption. Data analyzed by one-Way ANOVA/matched Mixed-effects model (REML) followed by Dunnet’s multiple comparisons test comparing a compound concentration to the control group. In the compound treatment phase ( F ), * p < 0.05 for a given compound concentration compared to vehicle. In the LPS treatment phase ( H ), * p < 0.05 for a given compound concentration + LPS compared to the vehicle plus LPS group. n = 3. Upper lines indicate the concentrations different from LPS control for each compound. All statistical analysis is provided in Additional File 2

    Journal: Alzheimer's Research & Therapy

    Article Title: Proof-of-concept study: APOE4 brain endothelial cells as a phenotypic compound screen

    doi: 10.1186/s13195-026-01960-6

    Figure Lengend Snippet: Compound treatment phase, mTOR inhibitors disrupt baseline TEER of APOE4 -brain endothelial cells. APOE4 -brain endothelial cells were treated for 24 h with 1 µM of 900 + compounds selected from the TargetMol Bioactive Library. A Capacitance was > 4nF for 11 compounds, 4 of which inhibit cell cycle pathways (CDK, purple dots) and 3 PI3K/Akt/mTOR (blue dots). B , C Relative change and percentage activity of compounds. We identified compounds that either increased (light green dots, 5 compounds) or decreased (brown dots, 34 compounds) baseline TEER. 22 were inhibitors of mTOR/PI3K (blue dots) including rapamycin (arrow). E - I The ability of mTOR activators (NV-5138, L-leucine, 3BDO, MHY1485) to modulate LPS-induced TEER disruption was evaluated. E , G Compound treatment phase. E. High concentrations of mTOR activators were either toxic (2 mM L-leucine; 200 µM 3BDO) or F. disrupted TEER (100 µM 3BDO). H , I LPS Phase. High concentrations of NV-5138 (10 µM) mitigated LPS-induced TEER disruption. Data analyzed by one-Way ANOVA/matched Mixed-effects model (REML) followed by Dunnet’s multiple comparisons test comparing a compound concentration to the control group. In the compound treatment phase ( F ), * p < 0.05 for a given compound concentration compared to vehicle. In the LPS treatment phase ( H ), * p < 0.05 for a given compound concentration + LPS compared to the vehicle plus LPS group. n = 3. Upper lines indicate the concentrations different from LPS control for each compound. All statistical analysis is provided in Additional File 2

    Article Snippet: We then screened a subset of ~ 900 molecules from the TargetMol Bioactive Library and identified two main groups compounds.

    Techniques: Activity Assay, Disruption, Concentration Assay, Control