In silico ADME/T modelling for rational drug design
Y Wang, J Xing, Y Xu, N Zhou, J Peng… - Quarterly reviews of …, 2015 - cambridge.org
In recent decades, in silico absorption, distribution, metabolism, excretion (ADME), and
toxicity (T) modelling as a tool for rational drug design has received considerable attention …
toxicity (T) modelling as a tool for rational drug design has received considerable attention …
Modulation of P-glycoprotein efflux pump: induction and activation as a therapeutic strategy
R Silva, V Vilas-Boas, H Carmo… - Pharmacology & …, 2015 - Elsevier
Abstract P-glycoprotein (P-gp) is an ATP-dependent efflux pump encoded by the MDR1
gene in humans, known to mediate multidrug resistance of neoplastic cells to cancer …
gene in humans, known to mediate multidrug resistance of neoplastic cells to cancer …
Structure, function and regulation of P-glycoprotein and its clinical relevance in drug disposition
SF Zhou - Xenobiotica, 2008 - Taylor & Francis
1. P-glycoprotein (P-gp/MDR1), one of the most clinically important transmembrane
transporters in humans, is encoded by the ABCB1/MDR1 gene. Recent insights into the …
transporters in humans, is encoded by the ABCB1/MDR1 gene. Recent insights into the …
Molecular docking characterizes substrate-binding sites and efflux modulation mechanisms within P-glycoprotein.
RJ Ferreira, MJU Ferreira… - Journal of chemical …, 2013 - ACS Publications
P-Glycoprotein (Pgp) is one of the best characterized ABC transporters, often involved in the
multidrug-resistance phenotype overexpressed by several cancer cell lines. Experimental …
multidrug-resistance phenotype overexpressed by several cancer cell lines. Experimental …
A primer on the mechanics of P-glycoprotein the multidrug transporter
M Hennessy, JP Spiers - Pharmacological research, 2007 - Elsevier
P-glycoprotein (P-gp) the multidrug transporter is a well-characterised member of the super-
family of ATP-binding cassette (ABC) transporters, and mediates the clearance of xenotoxins …
family of ATP-binding cassette (ABC) transporters, and mediates the clearance of xenotoxins …
Computational models for predicting substrates or inhibitors of P-glycoprotein
L Chen, Y Li, H Yu, L Zhang, T Hou - Drug discovery today, 2012 - Elsevier
The impact of P-glycoprotein (P-gp) on the multidrug resistance and pharmacokinetics of
clinically important drugs has been widely recognized. Here, we review in silico approaches …
clinically important drugs has been widely recognized. Here, we review in silico approaches …
ADMET Evaluation in Drug Discovery. 13. Development of in Silico Prediction Models for P-Glycoprotein Substrates
P-glycoprotein (P-gp) actively transports a wide variety of chemically diverse compounds out
of cells. It is highly associated with the ADMET properties of drugs and drug candidates and …
of cells. It is highly associated with the ADMET properties of drugs and drug candidates and …
PEO-PPO block copolymers for passive micellar targeting and overcoming multidrug resistance in cancer therapy
C Alvarez-Lorenzo, A Sosnik… - Current drug targets, 2011 - ingentaconnect.com
Drug carriers tailored to fit the physicochemical properties of anticancer agents and the
therapeutic peculiarities of tumor management are envisioned for improving the …
therapeutic peculiarities of tumor management are envisioned for improving the …
Targeting intestinal transporters for optimizing oral drug absorption
MV Varma, CM Ambler, M Ullah… - Current drug …, 2010 - ingentaconnect.com
While oral exposure continues to be the major focus, the chemical space of recent drug
discovery is apparently trending towards more hydrophilic libraries, due to toxicity and drug …
discovery is apparently trending towards more hydrophilic libraries, due to toxicity and drug …
Computational investigations of physicochemical, pharmacokinetic, toxicological properties and molecular docking of betulinic acid, a constituent of Corypha taliera …
Background Betulinic acid (BA) is a natural triterpenoid compound and exhibits a wide
range of biological and medicinal properties including anti-inflammatory activity. Therefore …
range of biological and medicinal properties including anti-inflammatory activity. Therefore …