The importance of plasma protein binding in drug discovery

GL Trainor - Expert opinion on drug discovery, 2007 - Taylor & Francis
Plasma protein binding of drugs is a well-recognised phenomena, but it is only recently that
the implications for drug action in vivo have been fully appreciated. Plasma proteins, by …

Rational use of plasma protein and tissue binding data in drug design: miniperspective

X Liu, M Wright, CECA Hop - Journal of medicinal chemistry, 2014 - ACS Publications
It is a commonly accepted assumption that only unbound drug molecules are available to
interact with their targets. Therefore, one of the objectives in drug design is to optimize the …

In vitro, in silico and integrated strategies for the estimation of plasma protein binding. A review

G Lambrinidis, T Vallianatou… - Advanced drug delivery …, 2015 - Elsevier
Plasma protein binding (PPB) strongly affects drug distribution and pharmacokinetic
behavior with consequences in overall pharmacological action. Extended plasma protein …

Pharmacokinetic properties and in silico ADME modeling in drug discovery

KM Honorio, TL Moda, AD Andricopulo - Medicinal Chemistry, 2013 - ingentaconnect.com
The discovery and development of a new drug are time-consuming, difficult and expensive.
This complex process has evolved from classical methods into an integration of modern …

A structure-based model for predicting serum albumin binding

KW Lexa, E Dolghih, MP Jacobson - PloS one, 2014 - journals.plos.org
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 …

Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2

A Moriconi, MC Cesta, MN Cervellera… - Journal of medicinal …, 2007 - ACS Publications
Chemokines CXCL8 and CXCL1 play a key role in the recruitment of neutrophils at the site
of inflammation. CXCL8 binds two membrane receptors, CXCR1 and CXCR2, whereas …

Modeling kinetics of subcellular disposition of chemicals

S Balaz - Chemical reviews, 2009 - ACS Publications
The effects of low-molecular-weight (< 1000 g/mol) chemicals on biosystems ranging from
membranes to organisms are of interest in medicinal chemistry, chemical biology …

Do we need to optimize plasma protein and tissue binding in drug discovery?

X Liu, C Chen, C ECA Hop - Current Topics in Medicinal …, 2011 - benthamdirect.com
It is a commonly accepted assumption that only unbound drug molecules are available to
interact with their targets. In order to achieve high unbound plasma drug concentration, it …

Prediction of blood-βrain partitioning and human serum albumin binding based on COSMO-RS σ-Moments

K Wichmann, M Diedenhofen… - Journal of chemical …, 2007 - ACS Publications
Models for the prediction of blood-brain partitioning (logBB) and human serum albumin
binding (logK (HSA)) of neutral molecules were developed using the set of 5 COSMO-RS σ …

In silico prediction of human serum albumin binding for drug leads

T Vallianatou, G Lambrinidis… - Expert opinion on drug …, 2013 - Taylor & Francis
Introduction: Binding of drugs to human serum albumin (HSA) strongly influences their
pharmacokinetic behavior and is associated with drug safety issues, low clearance, low …