Prediction of Drug-induced Mitochondrial Dysfunction Using Succinate-cytochrome C Reductase Activity, Qsar and Molecular Docking
There is increasing evidence that links mitochondrial off-target effects with organ toxicities. For this reason, predictive strategies need to be developed to identify mitochondrial dysfunction early in the drug discovery process. In this study, as a major mechanism of mitochondrial toxicity, first, the inhibitory activity of 35 compounds against succinate-cytochrome c reductase (SCR) was investigated. This in vitro study led to...
Evaluation of the predictivity of Acute Oral Toxicity (AOT) structure-activity relationship models
Several public efforts are aimed at discovering patterns or classifiers in the high-dimensional bioactivity space that predict tissue, organ or whole animal toxicological endpoints. This study sought to assess and compare the predictions of the Globally Harmonized System (GHS) categories and Dangerous Goods (DG) classifications based on Lethal Dose (LD50) from several available tools (ACD/Labs [Tox...
Introduction to Using (Q)SAR for the Assessment of Potential Mutagenicity of Drug Impurities Under ICH M7
This presentation explains the fundamentals of computational toxicology as a critical aspect of modern impurities control.
5 things you need to STOP doing in your lab | Gain time and be awesome at your job
There just doesn't seem to be enough hours in the day to get everything done. There are ways to gain time and be able to do more but they can be difficult to identify because until we’re exposed to them we carry on as we always have. If you are still doing any of the things discussed here, then there are ways you can gain hours in your day and even do your job better than you are right now!
FDA to Collaborate with ACD/Labs to Develop Predictive QSAR Models
Toronto, Canada (Nov. 4, 2010)—Advanced Chemistry Development, Inc., (ACD/Labs) announced today that the U.S. Food and Drug Administration (FDA) and ACD/Labs will work together in a five-year research collaboration to develop quantitative structure-activity relationship (QSAR) toxicity models for FDA regulatory and research applications. Under this collaborative agreement, the FDA will provide non-proprietary toxicology data for...
ACD/Labs and Pharma Algorithms Join Forces to Strengthen In Silico Screening and Prediction
Toronto, Canada (February 9, 2009)—Advanced Chemistry Development, Inc., (ACD/Labs) and Pharma Algorithms, Inc., have joined software development and business resources to better serve the extensive Chemical, Environmental, and Pharmaceutical markets, creating a new leader in in silico physicochemical, ADME, Metabolism, and Toxicology screening and prediction. Both private companies have been in business for over a decade and...