HSPiP, Computational, and Thermodynamic Model–Based Optimized Solvents for Subcutaneous Delivery of Tolterodine Tartrate and GastroPlus-Based In Vivo Prediction in Humans: Part I

HSPiP, Computational, and Thermodynamic Model–Based Optimized Solvents for Subcutaneous Delivery of Tolterodine Tartrate and GastroPlus-Based In Vivo Prediction in Humans: Part I

Publication: AAPS PharmSciTech
Software: GastroPlus®

Tolterodine tartrate (TOTA) is associated with adverse effect, high hepatic access, varied bioavailability, slight aqueous solubility, and short half-life after oral delivery.

From Pipeline to Plant Protection Products: Using New Approach Methodologies (NAMs) in Agrochemical Safety Assessment

From Pipeline to Plant Protection Products: Using New Approach Methodologies (NAMs) in Agrochemical Safety Assessment

Publication: J Agric Food Chem
Software: GastroPlus®

The human population will be approximately 9.7 billion by 2050, and food security has been identified as one of the key issues facing the global population.

Can in vitro/in silico tools improve colonic concentration estimations for oral extended-release formulations? A case study with upadacitinib

Can in vitro/in silico tools improve colonic concentration estimations for oral extended-release formulations? A case study with upadacitinib

Publication: J Control Release
Software: GastroPlus®

Upadacitinib, classified as a highly soluble drug, is commercially marketed as RINVOQ®, a modified-release formulation incorporating hydroxypropyl methylcellulose as a matrix system to target extended release throughout the gastrointestinal (GI) tract.

Prediction of physicochemical and pharmacokinetic properties of botanical constituents by computational models

Prediction of physicochemical and pharmacokinetic properties of botanical constituents by computational models

Publication: J Appl Toxicol
Software: GastroPlus®
Division: PBPK

Botanicals contain complex mixtures of chemicals most of which lack pharmacokinetic data in humans.

Effect of Food Composition on the PK of Isoniazid Quantitatively Explained Using Physiologically Based Biopharmaceutics Modeling

Effect of Food Composition on the PK of Isoniazid Quantitatively Explained Using Physiologically Based Biopharmaceutics Modeling

Division: PBPK

This work shows the utilization of a physiologically based biopharmaceutics model (PBBM) to mechanistically explain the impact of diverse food types on the pharmacokinetics (PK) of isoniazid (INH) and acetyl-isoniazid (Ac-INH).

InnoGI Technologies and Simulations Plus Combine Forces to Offer Next-Level Modeling Solutions for the Prediction of Oral Drug Performance

InnoGI Technologies and Simulations Plus Combine Forces to Offer Next-Level Modeling Solutions for the Prediction of Oral Drug Performance

InnoGI Technologies (formerly The TIM Company) is pleased to announce an exciting, market-driven collaboration with Simulations Plus to combine its TIM Technology, part of the InnoGI SurroGUT™ platform, with the GastroPlus® and ADMET Predictor® modelling software offered by Simulations Plus.

Validation of a Caco-2 microfluidic Chip model for predicting intestinal absorption of BCS Class I-IV drugs

Validation of a Caco-2 microfluidic Chip model for predicting intestinal absorption of BCS Class I-IV drugs

Publication: Int J Pharm
Software: GastroPlus®

Oral delivery is considered the most patient preferred route of drug administration, however, the drug must be sufficiently soluble and permeable to successfully formulate an oral formulation.

Best of Both Worlds: An Expansion of the State of the Art pKa Model with Data from Three Industrial Partners

Best of Both Worlds: An Expansion of the State of the Art pKa Model with Data from Three Industrial Partners

Conference: DDC
Software: ADMET Predictor®

In a unique collaboration between Simulations Plus and several industrial partners, we were able to develop a new version 11.0 of the previously published1 in silico pKa model, S+pKa, with considerably improved prediction accuracy.