Computational evaluation of selected compounds as potential inhibitors of gastric H⁺/K⁺-ATPase using molecular docking, molecular dynamics simulations, MMGBSA, and ADMET analyses. [PDF]
Edache EI +3 more
europepmc +1 more source
Pathways and pitfalls: a qualitative study of student experiences in biomedical science education
Biomedical science students from underrepresented backgrounds face barriers including financial strain, disrupted laboratory access and cultural exclusion. Peer networks provide vital support when institutional systems are difficult to navigate. To create inclusive learning environments and achieve academic success, educators should blend active, hands‐
Olivia J. Russell +8 more
wiley +1 more source
Targeted LC-MS/MS Phytochemical Profiling and Synergistic Anti-Urease Activity of <i>Limoniastrum guyonianum</i> Extracts Supported by Molecular Docking and <i>In Silico</i> ADME and Drug-Likeness Assessment. [PDF]
Bouzid M +12 more
europepmc +1 more source
Construction of a multi-label odor prediction model based on molecular structures and olfactory receptor binding profiles with a novel interpretability framework. [PDF]
Wakutsu Y, Kaneko H.
europepmc +1 more source
Integrative In Silico Profiling of Major Phytochemicals From a Sclerocarya birrea-Nauclea latifolia-Piper longum Mixture: Docking, Molecular Dynamics, ADMET, and Ligand-Based Target Prediction on Shared Pathways in Type 2 Diabetes Mellitus and Alzheimer's Disease. [PDF]
Tientcheu JPD, İstifli ES.
europepmc +1 more source
Preliminary <i>In Silico</i> Evaluation of Extra Virgin Olive Oil-Derived Bioactive Compounds as Multi-Target-Directed Ligands in Metabolic Dysfunction-Associated Steatotic Liver Disease. [PDF]
Abenavoli L +5 more
europepmc +1 more source
Novel diazene-tri(phenoxy-1,2,3-triazole-acetamide) derivatives as potent α-glucosidase inhibitors: synthesis, biological evaluation, and <i>in silico</i> studies. [PDF]
Kermaninia S +11 more
europepmc +1 more source
Mechanisms of gut microbiota metabolite-mediated gut-heart Axis in heart failure: An integrative study based on network pharmacology. [PDF]
Tan F, Cheng Y, Yan J, Zheng Z.
europepmc +1 more source

