Predictive in silico Screening to Determine Vector-Mediated Transport Properties for the Blood-Brain Barrier Choline Transporter
Poster Apr 24, 2013
Sergey Shityakov and Carola Förster
The molecular docking methods were applied to determine energetic profiles (ΔG) and correlate them to the experimental binding modes. We report strong correlation of ΔG values with number of heavy atoms in the molecule. The molecular docking methods were able to predict almost all active compounds except for those with low number of heavy atoms, which limits rotational degrees of freedom. Knowledge gained from this study is useful to better understand the BBBCHT as well as can be used in medicinal chemistry programs targeting this transporter.
Quantitative Cell-Based Bioassays for Individual and Combination Immune Checkpoint Immunotherapy TargetsPoster
The human immune system is comprised of a complex network of immune checkpoint receptors that are promising new immunotherapy targets for the treatment of a variety of diseases including cancer and autoimmune-mediated disorders.READ MORE
High Throughput Rheological Characterization of Small Volume Biopharmaceutical FormulationsPoster
Importance of assessing viscosity fingerprints of small molecules.READ MORE
Inecalcitol Stimulates CD38 Expression in Multiple Myeloma and Acute Myeloid Leukemia Cell LinesPoster
Inecalcitol is a vitamin D receptor agonist currently in Phase II clinical trial in AML (acute myeloid leukemia). Inecalcitol increases the expression of CD38 at the surface of 5 multiple myeloma cell lines; therefore, inecalcitol could potentiate the clinical response of MM patients to a therapeutic anti-CD38 antibody
Inecalcitol induces the expression of the CD38 antigen at the surface of 4 AML cell lines; thus, inecalcitol could render AML patients sensitive to a therapeutic anti-CD38.