PMID: 19929825Nov 26, 2009Paper

Two-dimensional (2D) in silico models for absorption, distribution, metabolism, excretion and toxicity (ADME/T) in drug discovery

Current Topics in Medicinal Chemistry
Prashant S Khakar

Abstract

With the dawn of new century, major technological advances in the drug discovery field have revolutionized absorption, distribution, metabolism, excretion and toxicity (ADME/T) profiling of new chemical entities (NCEs) among others. The progress made in the in vitro experimental determination of the ADME/T properties fueled the growth in the so-called predictive ADME/T. The process of in silico model development improved significantly with the availability of high quality data as well newer, more accurate statistical methods of analysis. Even several such models appear in the literature regularly, the prediction accuracy is limited to 'local' rather than 'global' applicability domain in majority of the cases. Majority of the efforts are still needed to address several issues such as data quality, accuracy of the results, etc., to increase the usefulness of these models. The ultimate aim is to develop in silico ADME/T models which will largely replace their in vitro experimental counterparts. The current review article discusses the two-dimensional (2D) approaches used in the predictive ADME/T model development and their limitations and usefulness in the discovery process.

Citations

Nov 30, 2013·Regulatory Toxicology and Pharmacology : RTP·Palma Ann MaroneA Wallace Hayes
Jun 9, 2020·Current Computer-aided Drug Design·Etratsadat DadfarTahereh M Isfahani
Apr 5, 2017·Expert Opinion on Drug Metabolism & Toxicology·K R PrzybylakM T D Cronin

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Toxicological Sciences : an Official Journal of the Society of Toxicology
David J DixRobert J Kavlock
Toxicological Sciences : an Official Journal of the Society of Toxicology
David J DixRobert J Kavlock
© 2022 Meta ULC. All rights reserved