Journal: Frontiers in Pharmacology

Article Title: In Vivo Dopamine Neuron Imaging-Based Small Molecule Screen Identifies Novel Neuroprotective Compounds and Targets

doi: 10.3389/fphar.2022.837756

Figure Lengend Snippet: Top 30 hit compounds from the bioactive high throughput screen with high SSMD and BHS (ranked by BHS).

Article Snippet: A total of 1,403 bioactive compounds (SelleckChem) were screened at 10 μM concentration that were obtained from the UCSF Small Molecule Discovery Center (SMDC).

Techniques: High Throughput Screening Assay, Activation Assay

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

Journal: Nucleic Acids Research

Article Title: canSAR: an integrated cancer public translational research and drug discovery resource

doi: 10.1093/nar/gkr881

Figure Lengend Snippet: Identification of tool compounds for ABL1. Panel ( A ) shows the search results from a sequence similarity search of ABL1. Only homologues with percentage identities >50% are selected to increase the chance of finding an active against ABL1 itself. Panel ( B ) shows the chemical space of good affinity compounds against ABL1 and selected homologues. Panel ( C ) displays only sub micromolar affinity compound structures. A search instigated using these compounds allows identification of likely selectivity across homologues. Panel ( D ) shows the bioactivity profile of these compounds. Compound identifiers are on the y -axis and target names on the x-axis. A blue dot represents a measured compound bioactivity and the darker the dot the higher the affinity of the compound against the target. This profile can be used to indicate the selectivity of the compounds against measured targets.

Article Snippet: Molecular diversity can be obtained from the Bemis and Murcko frameworks, and cross reactivity can be visualized using the compound bioactivity profile plots ( D) Figure 4.

Techniques: Sequencing