Abstract
Most drugs are carried from the site of absorption to their intended site of action (target site) by the bloodstream, either dissolved in the serum or bound to plasma proteins. Binding to plasma proteins influences (i.e. limits or favours), drug distribution through the body. Usually it is the unbound drug concentration that determines its pharmacological and toxicological properties. Our ability to design suitable drug candidates depends on our ability to understand the molecular characteristics of drug-protein binding and ideally be able to predict the extent of binding in vivo. Here we review the different approaches that have been used to model and predict the binding of drugs and drug like molecules to plasma proteins in the body.
Keywords: Binding, Descriptor, Human serum albumin, Plasma protein, Quantitative structural activity relationship.
Mini-Reviews in Medicinal Chemistry
Title:The Assessment and Characterisation of Drug Plasma Protein Binding in the Body Using QSAR
Volume: 14 Issue: 6
Author(s): Snezana Agatonovic-Kustrin, David W. Morton and Pauzi A. Yusof
Affiliation:
Keywords: Binding, Descriptor, Human serum albumin, Plasma protein, Quantitative structural activity relationship.
Abstract: Most drugs are carried from the site of absorption to their intended site of action (target site) by the bloodstream, either dissolved in the serum or bound to plasma proteins. Binding to plasma proteins influences (i.e. limits or favours), drug distribution through the body. Usually it is the unbound drug concentration that determines its pharmacological and toxicological properties. Our ability to design suitable drug candidates depends on our ability to understand the molecular characteristics of drug-protein binding and ideally be able to predict the extent of binding in vivo. Here we review the different approaches that have been used to model and predict the binding of drugs and drug like molecules to plasma proteins in the body.
Export Options
About this article
Cite this article as:
Agatonovic-Kustrin Snezana, Morton W. David and Yusof A. Pauzi, The Assessment and Characterisation of Drug Plasma Protein Binding in the Body Using QSAR, Mini-Reviews in Medicinal Chemistry 2014; 14 (6) . https://dx.doi.org/10.2174/1389557514666140529223057
DOI https://dx.doi.org/10.2174/1389557514666140529223057 |
Print ISSN 1389-5575 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5607 |
Call for Papers in Thematic Issues
Bioprospecting of Natural Products as Sources of New Multitarget Therapies
According to the Convention on Biological Diversity, bioprospecting is the exploration of biodiversity and indigenous knowledge to develop commercially valuable products for pharmaceutical and other applications. Bioprospecting involves searching for useful organic compounds in plants, fungi, marine organisms, and microorganisms. Natural products traditionally constituted the primary source of more than ...read more
Computational Frontiers in Medicinal Chemistry
The thematic issue "Computational Frontiers in Medicinal Chemistry" provides a robust platform for delving into state-of-the-art computational methodologies and technologies that significantly propel advancements in medicinal chemistry. This edition seeks to amalgamate top-tier reviews spotlighting the latest trends and breakthroughs in the fusion of computational approaches, including artificial intelligence (AI) ...read more
Mitochondria as a Therapeutic Target in Metabolic Disorders
Mitochondria are the primary site of adenosine triphosphate (ATP) production in mammalian cells. Moreover, these organelles are an important source of reactive oxygen and nitrogen species in virtually any nucleated cell type. The modulation of a myriad of cellular signaling pathways depends on the mitochondrial physiology. Mitochondrial dysfunction is observed ...read more
Natural Products and Dietary Supplements in Alleviation of Metabolic, Cardiovascular, and Neurological Disorders
Metabolic disorders like diabetes, obesity, inflammation, oxidative stress, cancer etc, cardiovascular disorders like angina, myocardial infarction, congestive heart failure etc as well as neurological disorders like Alzheimer?s, Parkinson?s, Epilepsy, Depression, etc are the global burden. They covered the major segment of the diseases and disorders from which the human community ...read more
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
Related Articles
-
Phanginin R Induces Cytoprotective Autophagy via JNK/c-Jun Signaling Pathway in Non-Small Cell Lung Cancer A549 Cells
Anti-Cancer Agents in Medicinal Chemistry Tubulin Inhibitors: A Patent Survey
Recent Patents on Anti-Cancer Drug Discovery Epigenetics in Cystic Fibrosis: Epigenetic Targeting of a Genetic Disease
Current Drug Targets Synthesis and Anticancer Activity of Phthalimido and Naphthalimido Substituted Dihydropyrimidone Conjugates
Letters in Drug Design & Discovery Angiomodulatory and Neurological Effects of Ginsenosides
Current Medicinal Chemistry Curcumin Sensitizes Cancers Towards TRAIL-induced Apoptosis via Extrinsic and Intrinsic Apoptotic Pathways
Current Drug Targets Sodium Carbonate Sesquiperhydrate (2Na2CO3-3H2O2) Catalysed One-pot Synthesis of Biologically Dynamic Novel Substituted Spirooxirane Dicarboxamides
Current Catalysis The Ubiquitin-Proteasome System (UPS) and the Mechanism of Action of Bortezomib
Current Pharmaceutical Design Biology of Protooncogene c-kit Receptor and Spermatogenesis
Current Pharmacogenomics Computational Analysis of the Interaction between Ligand-Receptor Pairs
Current Pharmaceutical Design Src Kinase Inhibitors: An Update on Patented Compounds
Current Medicinal Chemistry Chemical Senses in Cancer Patients
Current Pharmaceutical Design Involvement of Cysteine Proteases in Cancer
Current Medicinal Chemistry The Prognosis of Patients with Liver Metastases from Colorectal Cancer still Depends on Anatomical Presentation more than on Treatments
Current Cancer Drug Targets Milk Thistle: A Future Potential Anti-Osteoporotic and Fracture Healing Agent
Current Drug Targets Research Progresses of Targeted Therapy and Immunotherapy for Hepatocellular Carcinoma
Current Medicinal Chemistry Statins and Protein Prenylation in Cancer Cell Biology and Therapy
Anti-Cancer Agents in Medicinal Chemistry The Urokinase Receptor Interactome
Current Pharmaceutical Design Recent Studies of QSAR on Inhibitors of Estrogen Receptor and Human Eosinophil Phosphodiesterase
Current Computer-Aided Drug Design Paris Saponin VII Induces Apoptosis and Cell Cycle Arrest in Erythroleukemia Cells by a Mitochondrial Membrane Signaling Pathway
Anti-Cancer Agents in Medicinal Chemistry