Thorough understanding and control of the different crystal forms of a drug product is key for fine chemistry and materials science; it ultimately determines the product's physicochemical properties and performance.
Incorporating transporter kinetics into PBPK models
This webinar will focus more on transporters involved in drug distribution and elimination. A brief summary of current information on transporter expression levels will be followed by a description of options for including transporters in the GastroPlus™ PBPK model.
Structural and conformational determinants of macrocycle cell permeability
Macrocycles are of increasing interest as chemical probes and drugs for intractable targets like protein-protein interactions, but the determinants of their cell permeability and oral absorption are poorly understood.
Forecasting oral absorption across biopharmaceutics classification system classes with physiologically based pharmacokinetic models
The aim of this study was (1) to determine how closely physiologically based pharmacokinetic (PBPK) models can predict oral bioavailability using a priori knowledge of drug-specific properties and (2) to...
In vitro and in silico investigation of electrospun terbinafine hydrochloride-loaded buccal nanofibrous sheets
Terbinafine hydrochloride-loaded nanofibrous buccal films were formulated with the aim to improve the solubility and dissolution behavior; thus, the local effectiveness of the antifungal agent.
Vitamin K epoxide reductase expression and prostate cancer risk
Purpose: Increasing evidence has demonstrated that men taking the anticoagulant warfarin have a lower risk of developing prostate cancer. This phenomenon is not observed...
An in vitro and in silico study of the impact of engineered surface modifications on drug detachment from model carriers
In silico modeling was used to predict the impact of carrier surface modifications on the in vivo plasma concentration of an active pharmaceutical ingredient (API) and as a tool to support formulation development.
Development of Physiologically Based Pharmacokinetic (PBPK) Model for Simulating the Disposition of Antibody Drug Conjugates
Antibody- drug conjugates (ADCs) are a novel class of therapeutic agents that deliver potentcy totoxic drug molecules (payload) to their targets while reducing systemic exposure. ADCs may be composed of...
Simulation of in vitro Caco-2 Papp from Molecular Structure Estimation of Intracellular Km for Efflux Transporters
To build in silico models based on molecular structure that estimate the rate of passive diffusion into and out of the cell membrane and to combine those estimates with a cellular simulation of Caco-2...
Modeling of Cilostazol absorption and pharmacokinetics in Beagle Dogs and design of in-vitro dissolution experiment to model the in-vivo absorption
The purpose of this study was to evaluate the in-vitro/in-vivo (IVIV) correlationfor a Class II compound and to design an in-vitro dissolution experiment that improves this IVIV correlation by taking...
Development of a Physiologically Based Pharmacokinetic Model for Raltegravir and Prediction of its Interactions with Rifampicin
Raltegravir (MK-0518; Isentress™), the HIV-1 integrase strand transfer inhibitor is approved for HIV-1 therapy in combination with other antiretroviral agents.
Simulations Plus Reports FY2016 and Fourth Quarter FY2016 Financial Results
Full Fiscal Year Pharmaceutical Software and Services Up 9.1%;
Earnings per share $0.29, up 27.5% over prior year
Synthesis and structure-activity relationship study of tacrine-based pyrano[2,3-c]pyrazoles targeting AChE/BuChE and 15-LOX
A series of tacrine-based pyrazolo[4′,3′:5,6]pyrano[2,3-b]quinolines and related compounds were designed and synthesized for targeting AChE, BuChE and 15-LOX enzymes in the field of Alzheimer's disease therapy.
Physiologically Based Pharmacokinetic (PBPK) Modeling of Pharmaceutical Nanoparticles
With the great interests in the discovery and development of drug products containing nanoparticles, there is a great demand of quantitative tools for assessing quality, safety, and efficacy of these products.
Simulations Plus Sets Date for 4th Quarter and Fiscal Year 2016 Earnings Release and Conference Call
Conference Call to be on Friday, November 11, at 4:15 PM ET
Looking beyond a few hard cut-offs in assessing ADMET Risk™
Drug discovery and development is a multi-objective problem.
Applying GastroPlus™ for Extensions of Biowaivers for BCS Class II Compounds
GastroPlus™ is a mechanistically based simulation software package that predicts absorption, pharmacokinetics, and pharmacodynamics in humans and animals.