Results 191 to 200 of about 43,637 (267)

Introduction to Single‐Cell Physiologically‐Based Pharmacokinetic (scPBPK) Models

open access: yesCPT: Pharmacometrics &Systems Pharmacology, Volume 15, Issue 9, September 2026.
ABSTRACT The current investigation introduces single‐cell physiologically based pharmacokinetic (scPBPK) models to gain insight into drug disposition at the cellular scale. The transition from standard PBPK (sPBPK) models to scPBPK models required depiction of expression‐dependent (ED) processes, such as drug metabolism or membrane transport.
Anshul Saini, James M. Gallo
wiley   +1 more source

Gene‐Based Clustering Identifies QSOX1 and IL1RAP as Biomarkers of Metabolic Dysfunction‐Associated Steatotic Liver Disease

open access: yesLiver International, Volume 46, Issue 9, September 2026.
ABSTRACT Background and Aims Metabolic dysfunction‐associated steatotic liver disease (MASLD) is a progressive liver disease that ranges from simple steatosis to inflammation, fibrosis and cirrhosis. To address the unmet need for new MASLD biomarkers, we aimed to identify candidate biomarkers using publicly available RNA sequencing (RNA‐seq) and ...
Wenfeng Ma   +17 more
wiley   +1 more source

From Fragments to Function: Novel Hydrazone Derivatives as Monoamine Oxidase Inhibitors

open access: yesChemMedChem, Volume 21, Issue 16, 27 August 2026.
Twelve N‐acylhydrazone derivatives (5a–f, 6a–f) were synthesized and characterized. Compounds displayed potent submicromolar inhibition against both MAO‐A and MAO‐B. Compound 6e exhibited the strongest activity (IC50 = 0.073 μM for MAO‐A; 0.064 μM for MAO‐B). Kinetic and docking analyses confirmed reversible, competitive inhibition via FAD interaction.
Hasan Erdinç Sellitepe   +5 more
wiley   +1 more source

Topliss‐Guided Optimization of Acetanilide‐Based Soluble Epoxide Hydrolase Inhibitors: Exploring the Pentafluorosulfanyl Group as a Potency‐Enhancing Motif

open access: yesChemMedChem, Volume 21, Issue 16, 27 August 2026.
Can an amide analog retain the high potency of the classic urea motif in soluble epoxide hydrolase inhibitors? Through a single unconventional switch, the introduction of the underexplored pentafluorosulfanyl group into an amide analog of TPPU, the authors restored high inhibitory potency.
Alba López‐Ruiz   +17 more
wiley   +1 more source

Pyridyl‐Thiazole‐Thiosemicarbazones as Antitrypanosomatidae Agents: Design, Synthesis, and In Silico Profiling

open access: yesChemMedChem, Volume 21, Issue 16, 27 August 2026.
A novel pyridine–thiazole derivative, Compound 8, exhibited potent dual antitrypanosomatid activity. It demonstrated remarkable in vitro efficacy against Trypanosoma cruzi (IC50 = 1.0 µM) and L. amazonensis (IC50 = 3.9 µM). Molecular docking studies suggested interactions with heme and multiple molecular targets.
Anderson José Firmino Santos da Silva   +10 more
wiley   +1 more source

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