ArticlePloS one2014
A structure-based model for predicting serum albumin binding.
Article in PloS one, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Article
- QSAR and machine learning methods for prediction of albumin-ligand binding.Biophysical reviews · 2025Review
- Identification of Microbial-Based Natural Products as Potential CYP51 Inhibitors for Eumycetoma Treatment: Insights from Molecular Docking, MM-GBSA Calculations, ADMET Analysis, and Molecular Dynamics Simulations.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Human plasma protein bindings of neonicotinoid insecticides and metabolites.Scientific reports · 2025Article
- In Search for Low-Molecular-Weight Ligands of Human Serum Albumin That Affect Its Affinity for Monomeric Amyloid β Peptide.International journal of molecular sciences · 2024Article
- Quantitative cross-species comparison of serum albumin binding of per- and polyfluoroalkyl substances from five structural classes.Toxicological sciences : an official journal of the Society of Toxicology · 2024Article
- Effect of Adrenocorticotropic Hormone Stimulation on Ischemiamodified Albumin LevelsJournal of clinical research in pediatric endocrinology · 2024Article
- Deciphering albumin-directed drug delivery by imaging.Advanced drug delivery reviews · 2022Review
- Small peptide-based GLP-1R ligands: an approach to reduce the kidney uptake of radiolabeled GLP-1R-targeting agents?EJNMMI radiopharmacy and chemistry · 2021Article
- Thin Film Plastic Antibody-Based Microplate Assay for Human Serum Albumin Determination.Polymers · 2021Article
- Ischemia-Modified Albumin: Origins and Clinical Implications.Disease markers · 2021Review
- Super Secondary Structures of Proteins with Post-Translational Modifications in Colon Cancer.Molecules (Basel, Switzerland) · 2020Article
- Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.Journal of medicinal chemistry · 2020Article
- In silico design of peptides as potential ligands to resistin.Journal of molecular modeling · 2020Article
- Binding Constants of Substituted Benzoic Acids with Bovine Serum Albumin.Pharmaceuticals (Basel, Switzerland) · 2020Article
- Differential Roles of Plasma Protein Corona on Immune Cell Association and Cytokine Secretion of Oligomeric and Fibrillar Beta-Amyloid.Biomacromolecules · 2019Article
- Comparative Study of Two Oxidizing Agents, Chloramine T and Iodo-GenPharmaceuticals (Basel, Switzerland) · 2019Article
- Article
- Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques.BMC bioinformatics · 2018Article
- QSAR Development for Plasma Protein Binding: Influence of the Ionization State.Pharmaceutical research · 2018Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
One of the many factors involved in determining the distribution and metabolism of a compound is the strength of its binding to human serum albumin. While experimental and QSAR approaches for determining binding to albumin exist, various factors limit their ability to provide accurate binding affinity for novel compounds. Thus, to complement the existing tools, we have developed a structure-based model of serum albumin binding. Our approach for predicting binding incorporated the inherent flexibility and promiscuity known to exist for albumin. We found that a weighted combination of the predicted logP and docking score most accurately distinguished between binders and nonbinders. This model was successfully used to predict serum albumin binding in a large test set of therapeutics that had experimental binding data.
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Registered trials
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