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
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
Natural Products in Drug Discovery
Natural products have always been one of the important ways of drug discovery due to their novel skeleton and diverse functional group characteristics. According to statistics, between 1981 and 2019, the FDA approved a total of 1,394 small molecule drugs for marketing, of which 930 marketed drugs originated from the ...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
-
Meet Our Editorial Board Member:
Current Medicinal Chemistry The Potential use of Dendritic Cell-based Immunotherapy for Treatment of Pancreatic Cancer
Immunology, Endocrine & Metabolic Agents in Medicinal Chemistry (Discontinued) The Use of Bio-Active Compounds of Citrus Fruits as Chemopreventive Agents and Inhibitor of Cancer Cells Viability
Anti-Cancer Agents in Medicinal Chemistry New Insights on the Antitumoral Properties of Prodiginines
Current Medicinal Chemistry KRAB-Zinc Finger Proteins: A Repressor Family Displaying Multiple Biological Functions
Current Genomics Factors Interacting with HIF-1α mRNA: Novel Therapeutic Targets
Current Pharmaceutical Design PET Tracers Based on 86Y
Current Radiopharmaceuticals Pisosterol Induces G2/M Cell Cycle Arrest and Apoptosis via the ATM/ATR Signaling Pathway in Human Glioma Cells
Anti-Cancer Agents in Medicinal Chemistry Antiangiogenic Resistance and Cancer Metabolism: Opportunities for Synthetic Lethality
Current Drug Targets Network of WNT and Other Regulatory Signaling Cascades in Pluripotent Stem Cells and Cancer Stem Cells
Current Pharmaceutical Biotechnology Polo-Like Kinase 1 Pharmacological Inhibition as Monotherapy or in Combination: Comparative Effects of Polo-Like Kinase 1 Inhibition in Medulloblastoma Cells
Anti-Cancer Agents in Medicinal Chemistry CARING (CAncer Risk and INsulin analoGues): The Association of Diabetes Mellitus and Cancer Risk with Focus on Possible Determinants - A Systematic Review and a Meta-Analysis
Current Drug Safety Novel Dual Inhibitors of Nuclear Factor-Kappa B (NF-κ B) and Cyclooxygenase- 2 (COX-2): Synthesis, In Vitro Anticancer Activity and Stability Studies of Lantadene–Non Steroidal Anti-inflammatory Drug (NSAID) Conjugates
Current Topics in Medicinal Chemistry Highly Organized Nanostructures for Brain Drug Delivery - New Hope or Just a Fad?
CNS & Neurological Disorders - Drug Targets Coronary CT and the Coronary Calcium Score, the Future of ED Risk Stratification?
Current Cardiology Reviews Pharmacological Interventions for the Prevention and Treatment of Kidney Injury Induced by Radiotherapy: Molecular Mechanisms and Clinical Perspectives
Current Molecular Pharmacology Asymmetric Vinylogous Mukaiyama Aldol Reactions Using Vinylketene N,O-Acetals in Total Syntheses of Natural Products
Mini-Reviews in Organic Chemistry The Role of Coagulation and Fibrinolysis in the Pathogenesis of Acute Lung Injury
Current Respiratory Medicine Reviews New Vector Innovation for Drug Delivery: Development of Fusigenic Non- Viral Particles
Current Drug Targets Regulation of Angiogenesis by Th1- and Th2-Type Cytokines
Current Pharmaceutical Design