Docking-Informed Machine Learning for Kinome-wide Affinity Prediction.

Kinase inhibitors are an important class of anticancer drugs, with 80 inhibitors clinically approved and >100 in active clinical testing. Most bind competitively in the ATP-binding site, leading to challenges with selectivity for a specific kinase, resulting in risks for toxicity and general off-target effects. Assessing the binding of an inhibitor for the entire kinome is experimentally possible but expensive.

Atlas of Cerebrospinal Fluid Immune Cells Across Neurological Diseases.

Objective: Cerebrospinal fluid (CSF) provides unique insights into the brain and neurological diseases. However, the potential of CSF flow cytometry applied on a large scale remains unknown.

Methods: We used data-driven approaches to analyze paired CSF and blood flow cytometry measurements from 8,790 patients (discovery cohort) and CSF only data from 3,201 patients (validation cohort) collected across neurological diseases in a real-world setting.

Co-infusion of mesenchymal stromal cells to prevent GVHD after allogeneic hematopoietic cell transplantation from HLA-mismatched unrelated donors after reduced-intensity conditioning: a double-blind randomized study and literature review.

Background: Mesenchymal stromal cells (MSC) have immunomodulatory and hematopoiesis-supporting properties that could potentially benefit hematopoietic stem cell (HSC) engraftment and decrease the incidence and/or severity of graft-versus-host disease (GVHD).

Methods: Based on our previous pilot study, we established a multicenter, prospective, randomized, double-blind trial evaluating the efficacy of co-infusing third-party MSC (1.5-3 × 10/kg) versus placebo on the day of HSC transplantation (HCT) to prevent GVHD in recipients of HLA-mismatched unrelated donors after reduced-intensity conditioning.

Evaluating and Validating the Fluorescent Probe Methodology for Measuring the Effective Hydrophobicity of Protein, Protein Hydrolyzate, and Amino Acid.

The fluorescent probe method with 8-anilino-1-naphthalenesulfonic acid ammonium salt (ANSA) and 6-propionyl-2-(,-dimethylamino) naphthalene (PRODAN) was validated to determine the effective hydrophobicity of the whey protein isolate. The focus was on charge and hydrophobic interactions due to the complexation between the proteins and probes. Using ANSA could overestimate the effective hydrophobicity of positively charged proteins.