ADMET in silico modelling: towards prediction paradise?
H Van De Waterbeemd, E Gifford - Nature reviews Drug discovery, 2003 - nature.com
Following studies in the late 1990s that indicated that poor pharmacokinetics and toxicity
were important causes of costly late-stage failures in drug development, it has become …
were important causes of costly late-stage failures in drug development, it has become …
In vitro blood–brain barrier models: current and perspective technologies
P Naik, L Cucullo - Journal of pharmaceutical sciences, 2012 - Elsevier
Even in the 21st century, studies aimed at characterizing the pathological paradigms
associated with the development and progression of central nervous system diseases are …
associated with the development and progression of central nervous system diseases are …
Generation of a set of simple, interpretable ADMET rules of thumb
MP Gleeson - Journal of medicinal chemistry, 2008 - ACS Publications
A set of simple, consistent structure–property guides have been determined from an analysis
of a number of key ADMET assays run within GSK: solubility, permeability, bioavailability …
of a number of key ADMET assays run within GSK: solubility, permeability, bioavailability …
In silico pharmacology for drug discovery: applications to targets and beyond
Computational (in silico) methods have been developed and widely applied to
pharmacology hypothesis development and testing. These in silico methods include …
pharmacology hypothesis development and testing. These in silico methods include …
Using the Golden Triangle to optimize clearance and oral absorption
TW Johnson, KR Dress, M Edwards - Bioorganic & medicinal chemistry …, 2009 - Elsevier
The Golden Triangle is a visualization tool developed from in vitro permeability, in vitro
clearance and computational data designed to aid medicinal chemists in achieving …
clearance and computational data designed to aid medicinal chemists in achieving …
Role of the intestinal bile acid transporters in bile acid and drug disposition
PA Dawson - Drug transporters, 2011 - Springer
Membrane transporters expressed by the hepatocyte and enterocyte play critical roles in
maintaining the enterohepatic circulation of bile acids, an effective recycling and …
maintaining the enterohepatic circulation of bile acids, an effective recycling and …
Early prediction of drug metabolism and toxicity: systems biology approach and modeling
A Bugrim, T Nikolskaya, Y Nikolsky - Drug discovery today, 2004 - Elsevier
Many of the drug candidates that fail in clinical trials are withdrawn because of unforeseen
effects of human metabolism, such as toxicity and unfavorable pharmacokinetic profiles …
effects of human metabolism, such as toxicity and unfavorable pharmacokinetic profiles …
[图书][B] Reviews in Computational Chemistry 6
KB Lipkowitz, DB Boyd - 1995 - Wiley Online Library
Earning tenure at an academic institution and running a steeplechase race successfully
have a lot in common. Both require extensive training before the event begins, both involve …
have a lot in common. Both require extensive training before the event begins, both involve …
Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity
Analysis of the literature involving computational modeling of diseases and drug design with
the aid of experimental spectroscopic techniques reveals that this specific combination of …
the aid of experimental spectroscopic techniques reveals that this specific combination of …
Strategies to improve oral drug bioavailability
I Gomez-Orellana - Expert opinion on drug delivery, 2005 - Taylor & Francis
Efforts to improve oral drug bioavailability have grown in parallel with the pharmaceutical
industry. As the number and chemical diversity of drugs has increased, new strategies have …
industry. As the number and chemical diversity of drugs has increased, new strategies have …