Drug Metabolism - Drug Discovery Today

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FRAME Alternatives Laboratory chosen for major European liver research collaboration
FRAME (The Fund for the Replacement of Animals in Medical Testing) is taking part in a ground-breaking European research collaboration to tackle a rare liver disorder that can lead to death.
Protein study suggests drug side effects are inevitable
A new study of both computer-created and natural proteins suggests that the number of unique pockets – sites where small molecule pharmaceutical compounds can bind to proteins – is surprisingly small, meaning drug side effects may be impossible to avoid. The study also found that the fundamental biochemical processes needed for life could have been enabled by the simple physics of protein folding.
Cancer drugs an unexpected ally in the battle against malaria
In the fight against malaria, cancer drugs are far from being considered a useful tool. But new research at Seattle BioMed reveals that liver cells, which are first infected by Plasmodium parasites after their transmission by mosquito bite, actually behave in similar ways to cancer cells. The work also shows that with the help of cancer drugs, the liver can become a hostile environment for the malaria parasite. This exciting new development is published in this month’s issue of the journal Cell Reports.
Metformin may lower cancer risk in people with type 2 diabetes
A commonly prescribed diabetes drug, metformin, reduces the overall cancer risk in people with Type 2 diabetes, a large systematic review study finds.

Podcasts

Evotec strengthens and expands its Alliance Business
Dr Mark Ashton is Executive Vice President, Business Development of Evotec and is responsible for Evotec's commercial and partnering activities. Mark Whittaker is Senior Vice President Drug Discovery at Evotec where he manages a large drug discovery collaboration and the groups of computational chemistry and structural biology.
The Ubiquitin Story
In this podcast interview with Drug Discovery Today, Nobel Prize winner Professor Aaron Ciechanover will talk about his career, his Nobel Prize-winning discovery of the UPS, and the extraordinary opportunities and challenges for drug discovery in this area.
Califf, Behrman and Kramer discuss the Clinical Trials Transformation Initiative.
Download the Califf, Behrman and Kramer podcast as an mp3 file
Dr Brent Vose outlines AstraZeneca's oncology pipeline.
Download the Dr. Brent Vose podcast as an mp3 file

Webinars

The Promise of Epigenetics in Early Stage Drug Discovery
Epigenetic targets are exciting to drug discovery scientists because they hold great potential across a wide spectrum of therapeutic areas. The field of epigenetics focuses on the investigation of enzymes that alter gene expression through modification of their target substrates, usually through the addition or removal of methyl or acetyl groups. High-throughput assays to identify agents capable of modifying the action of such enzyme targets has, in the past, proven to be challenging due to the relatively small molecular alterations in addition to the possibility of sequential modifications, leading to multiple end products. As such, high-throughput bioassays that allow the direct, concurrent quantification of multiple modification states are attractive. The RapidFire platform enables high-throughput mass spectrometric analysis of native molecules from in vitro reactions by performing on-line desalting in seconds, as opposed to HPLC, which requires minutes. Moreover, the RapidFire system can be connected to any mass spectrometer providing unparalleled versatility in reaction detection.
Integrated Quant / Qual for In-vivo Discovery Bioanalysis using Hybrid Quadrupole-Time-of-Flight Mass Spectrometry
Ultra high performance liquid chromatography (UHPLC) coupled with orthogonal acceleration hybrid quadrupole-time-of-flight (QqTOF) mass spectrometry is an emerging technique offering new strategies for the efficient screening of new chemical entities (NCE) and related molecules at the early discovery stage within the pharmaceutical industry.
Drug Delivery: enabling technology for discovery and development
The integration of pharmacodynamic and pharmacokinetic parameters in non clinical pharmacology studies is a key aspect in drug discovery for efficacy and safety assessment, in the particular for the translation from the non clinical to the clinical field. Modeling the profile of plasma exposure achieved with the intended therapeutic route often requires the use of intravenous infusion. In addition, in most cases infusion parameters (infusion rate, volume, duration and sequences) need to be customized to achieve the appropriate pattern of plasma drug exposure. When pharmacodynamic parameters are recorded by telemetry, the use of implantable pumps rather than external pumps is necessary to preserve the improvement in physiological data recording offered by telemetry.
Part 2: How has HR-MS technology fundamentally changed the way we study drug biotransformation and disposition?
AB SCIEX is proud to present the 2nd installment of a Global 4-Part Live Webinar Series exploring novel and dynamic workflows for Metabolite Identification & Drug Metabolism solutions as it pertains to the 4 main stages of the drug discovery and development paradigm, Lead Discovery, Late Stage Discovery, Early Development and Late Stage Development. Part 2 of this webinar series will focus on how HRMS technology has fundamentally changed the way metabolite biotransformations are investigated in Lead Discovery.

Features

The graphical representation of ADME-related molecule properties for medicinal chemists
In this article, the most downloaded of Q1 2011, Timothy J. Ritchie, Peter Ertl and Richard Lewis review various approaches that have been used to represent molecule properties graphically in the context of oral ‘drug likeness’, with the goal of improving the decision making of medicinal chemists during the drug discovery process.
Drug Discovery Today: highlighted review. ‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries
This highlighted review from Drug Discovery Today by Dobson, Patel and Kell outlines how "metabolite-likeness" in an analogous manner to "drug-likeness" and "lead-likeness" can be used to improve the value of compound libraries design by incorporating features of endogenous metabolites ("endogenites")

Downloads

Drug-induced Rhabdomyolysis Atlas (DIRA) for Idiosyncratic Adverse Drug Reaction Management
A drug-induced rhabdomyolysis (DIR) classification scheme was developed based on drug labeling information.
Drug Induced Liver Injury severity and toxicity (DILIst) Binary classification of 1303 drugs by human hepatotoxicity
This drug list provides access to the largest number of drugs classified for human hepatotoxicity.
Adverse drug reactions on sexual functioning: a systematic overview
More than 300 drugs are registered that have sexual adverse drug reactions.
Evolving molecules using multi-objective optimization: applying to ADME/Tox
Human nature focuses the scientist on one parameter at a time, yet drug discovery is multidimensional, so to improve our decision making we need tools that can aid in optimizing all key parameters simultaneously.
Biotransformation pathway maps in WikiPathways enable direct visualization of drug metabolism related expression changes.
Recent advances in pharmacogenetics, pharmacogenomics and toxicogenomics have 20 increased our knowledge on the genetics and functional genomics of drug metabolizing 21 enzymes. In addition, a wealth of data on drug-related transcriptomics, proteomics and 22 metabolomics has become available. Despite the availability of large amounts of 23 biological information on xenobiotic biotransformation from literature and online 24 resources, the number of available biotransformation pathway maps that can easily be 25 used for visualization of multiple “omics” data, is limited.

25 Hottest Articles

Peptide therapeutics: current status and future directions • Review article
Drug Discovery Today, Volume 20, Issue 1, Pages 122-128 | Fosgerau, K.; Hoffmann, T.
Bispecific antibodies • Review article
Drug Discovery Today, Volume 20, Issue 7, Pages 838-847 | Kontermann, R.E.; Brinkmann, U.
Designing novel building blocks is an overlooked strategy to improve compound quality • Review article
Drug Discovery Today, Volume 20, Issue 1, January 2015, Pages 11-17 | Goldberg, F.W.; Kettle, J.G.; Kogej, T.; Perry, M.W.D.; Tomkinson, N.P.
The road ahead for large pharma: long-term science and innovation • Editorial
Drug Discovery Today, Volume 14, Issue 9-10, May 2009, Pages 439-441 | Lundberg, J.M.; Reilly, C.
The impact of aromatic ring count on compound developability - are too many aromatic rings a liability in drug design? • Review article
Drug Discovery Today, Volume 14, Issue 21-22, November 2009, Pages 1011-1020 | Ritchie, T.J.; Macdonald, S.J.F.

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