In silico approaches for predicting ADME properties of drugs

F Yamashita, M Hashida - Drug metabolism and pharmacokinetics, 2004 - jstage.jst.go.jp
Combinatorial chemistry and high-throughput screening have increased the possibility of
ˆnding new lead compounds at much shorter time periods than conventional medicinal …

Xenobiotica-metabolizing enzymes in the lung of experimental animals, man and in human lung models

F Oesch, E Fabian, R Landsiedel - Archives of toxicology, 2019 - Springer
The xenobiotic metabolism in the lung, an organ of first entry of xenobiotics into the
organism, is crucial for inhaled compounds entering this organ intentionally (eg drugs) and …

CYP2A6: genetics, structure, regulation, and function

H Raunio, M Rahnasto-Rilla - Drug metabolism and drug …, 2012 - degruyter.com
The human CYP2A gene subfamily consists of three members, CYP2A6, CYP2A7, and
CYP2A13. The CYP2A6 gene is highly polymorphic with approximately 40 annotated allelic …

CYP2S1: a short review

ST Saarikoski, SP Rivera, O Hankinson… - Toxicology and Applied …, 2005 - Elsevier
A new member of the cytochrome P450 superfamily, CYP2S1, has recently been identified
in human and mouse. In this paper, we review the data currently available for CYP2S1. The …

The bacterial P450 BM3: a prototype for a biocatalyst with human P450 activities

CH Yun, KH Kim, DH Kim, HC Jung, JG Pan - Trends in biotechnology, 2007 - cell.com
The use of cytochrome P450 (P450 or CYP) enzymes as biocatalysts for the production of
fine chemicals, including pharmaceuticals, has been of increasing interest, primarily owing …

Computational prediction of human drug metabolism

S Ekins, S Andreyev, A Ryabov, E Kirillov… - Expert Opinion on …, 2005 - Taylor & Francis
There is an urgent requirement within the pharmaceutical and biotechnology industries,
regulatory authorities and academia to improve the success of molecules that are selected …

Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates

J Kirchmair, S Distinto, D Schuster… - Current medicinal …, 2008 - ingentaconnect.com
Computational chemistry software for lead discovery has become well established in
pharmaceutical industry and has found its way to the desktop computers of medicinal …

Function and regulation of the Cyp2a5/CYP2A6 genes in response to toxic insults in the liver

J Hakkola, R Juvonen, M Rahnasto-Rilla… - Current drug …, 2013 - ingentaconnect.com
The mouse hepatic cytochrome P450 (CYP) 2A5 and its human orthologue CYP2A6
catalyse the metabolism of a number of drugs and toxins, such as halothane and aflatoxin …

Human cytochrome P450 2A13 efficiently metabolizes chemicals in air pollutants: naphthalene, styrene, and toluene

T Fukami, M Katoh, H Yamazaki, T Yokoi… - Chemical research in …, 2008 - ACS Publications
Human P450 2A13 is the most efficient enzyme for catalyzing the metabolism of nicotine and
metabolic activation of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK). It is …

Non-nicotinic therapies for smoking cessation

ECK Siu, RF Tyndale - Annu. Rev. Pharmacol. Toxicol., 2007 - annualreviews.org
Cigarette smoking is the primary cause of numerous preventable diseases; as such, the
goals of smoking cessation are both to reduce health risks and to improve the quality of life …