Medivir AB Chooses Certara’s D360 as its Global Drug Discovery Platform

D360™ will provide enhanced data access and visualization, permitting closer collaboration between Medivir’s discovery scientists ST. LOUIS, MO – Jan. 27, 2014 – Certara™, a leading provider of software and scientific consulting services to improve productivity and decision-making from drug discovery through drug development, today announced that Medivir AB, a Swedish pharmaceutical company that focuses … Continued

Professor Geoff Tucker Named President-Elect, International Society for the Study of Xenobiotics

ST. LOUIS, MO – Jan. 21, 2014 – Certara™, a leading provider of software and scientific consulting services to improve productivity and decision-making from drug discovery through drug development, today announced that Professor Geoff Tucker, its vice president of translational sciences, and co-founder of Simcyp™ and head of its consultancy, has been named president-elect of … Continued

Template CoMFA: The 3D-QSAR Grail?

Template CoMFA, a novel alignment methodology for training or test set structures in 3D-QSAR, is introduced. Its two most significant advantages are its complete automation and its ability to derive a single combined model from multiple structural series affecting a biological target. Its only two inputs are one or more “template” structures having 3D coordinates … Continued

A Systems Pharmacology Perspective on the Clinical Development of Fatty Acid Amide Hydrolase Inhibitors for Pain

The level of the endocannabinoid anandamide is controlled by fatty acid amide hydrolase (FAAH). In 2011, PF-04457845, an irreversible inhibitor of FAAH, was progressed to phase II clinical trials for osteoarthritic pain. This article discusses a prospective, integrated systems pharmacology model evaluation of FAAH as a target for pain in humans, using physiologically based pharmacokinetic … Continued

Simplifying Deconvolution

Deconvolution is used to evaluate the absorption kinetics of a drug. Unfortunately the term can be confusing and explanations are generally even more confusing. While deconvolution is not a simple topic, I believe it can be understood so that more scientists can apply the principles to their work. Before I define deconvolution, let me define … Continued

The IQ-CSRC Prospective Clinical Phase 1 Study: Can Early QT Assessment Using Exposure Response Analysis Replace the Thorough QT Study?

A collaboration between the Consortium for Innovation and Quality in Pharmaceutical Development and the Cardiac Safety Research Consortium has been formed to design a clinical study in healthy subjects demonstrating that the thorough QT (TQT) study can be replaced by robust ECG monitoring and exposure-response (ER) analysis of data generated from First-in-Man single ascending dose … Continued

Incorporating Target Shedding into a Minimal PBPK-TMDD Model for Monoclonal Antibodies

Shedding of a pharmacological target from cells, giving rise to a soluble target that can also bind therapeutic proteins, is a common phenomenon. In this study, a minimal physiologically based pharmacokinetic model was used to simulate the pharmacokinetics of trastuzumab and the simultaneous binding of the compound to soluble (in blood and tissue interstitial space) and membrane-bound (in the tissue interstitial space) forms of … Continued