In vitro and in vivo investigation of metabolic fate of riociguat by HPLC-Q-TOF/MS/MS and in silico evaluation of the metabolites by ADMET Predictor™

In vitro and in vivo investigation of metabolic fate of riociguat by HPLC-Q-TOF/MS/MS and in silico evaluation of the metabolites by ADMET Predictor™

Publication: J Pharm Biomed Anal
Software: ADMET Predictor®

Riociguat, a guanyl cyclase inhibitor, is one of its kind drug regimen approved for management of pulmonary arterial hypertension and chronic thromboembolism pulmonary hypertension.

Liver Safety Comparison of Two Treatments for Autosomal-Dominant Polycystic Kidney Disease (ADPKD) Using Quantitative Systems Toxicology Software (DILIsym)

Liver Safety Comparison of Two Treatments for Autosomal-Dominant Polycystic Kidney Disease (ADPKD) Using Quantitative Systems Toxicology Software (DILIsym)

Conference: AAPS
Software: DILIsym®
Division: DILIsym Services

Lixivaptan, a vasopressin-2 receptor antagonist, is being developed for the treatment of autosomal-dominant polycystic kidney disease (ADPKD), an orphan disease that is an unmet medical need.

Assessing the Role of Intracellular Binding Protein in Drug-Induced Bile Acid Transporter Inhibition Using Quantitative Systems Pharmacology (QSP) Modeling

Assessing the Role of Intracellular Binding Protein in Drug-Induced Bile Acid Transporter Inhibition Using Quantitative Systems Pharmacology (QSP) Modeling

Conference: AAPS
Software: DILIsym®
Division: DILIsym Services

Bile acid transporter inhibition has been shown to be an important mechanism of drug-induced liver injury (DILI), but the biophase responsible for the transporter inhibition is unclear.

A PBPK model of the negative effect of chitosan on acyclovir absorption: The mucus-chitosan interaction

A PBPK model of the negative effect of chitosan on acyclovir absorption: The mucus-chitosan interaction

Conference: AAPS
Software: GastroPlus®
Division: Simulations Plus

A recent bioavailability study raises questions about the universality of the permeability enhancing effect of chitosan on poorly permeable drugs.

HTPK: Conducting PK modeling and simulations at high speed

HTPK: Conducting PK modeling and simulations at high speed

Conference: AAPS
Software: ADMET Predictor®
Division: Simulations Plus

In silico pharmacokinetic (PK) simulations are now routinely incorporated into drug development workflows, especially in the later stages.

HTPK: Conducting PK modeling and simulations at high speed

HTPK: Conducting PK modeling and simulations at high speed

Conference: AAPS
Division: Simulations Plus

HTPK lightens the burden of collecting and preparing input variables for full blown PK simulations by using structure-based predictions.

Using in-silico Models to Integrate in-vitro Data to Support Virtual Trials for Cost Effective Drug Development

Using in-silico Models to Integrate in-vitro Data to Support Virtual Trials for Cost Effective Drug Development

Authors: Lukacova V
Conference: AAPS
Software: GastroPlus®
Division: Simulations Plus

PBPK models allow incorporating different types of in vitro measurements into single platform to account for all processes affecting drug’s absorption, distribution and elimination.

Application of a Dynamic Fluid & pH Model to Simulate Intraluminal and Systemic Concentrations of a Weak Base in GastroPlus™

Application of a Dynamic Fluid & pH Model to Simulate Intraluminal and Systemic Concentrations of a Weak Base in GastroPlus™

Authors: Hens B, Bolger MB
Publication: J Pharm Sci
Division: Simulations Plus

The application of preclinical in vitro and in silico models can help formulation scientists to predict the in vivo performance of a drug in an early stage of oral drug product development.

Using Quantitative Systems Toxicology to Investigate Observed Species Differences in CKA-Mediated Hepatotoxicity

Using Quantitative Systems Toxicology to Investigate Observed Species Differences in CKA-Mediated Hepatotoxicity

Publication: Toxicol Sci
Software: DILIsym®
Division: DILIsym Services

CKA, a chemokine receptor antagonist intended for treating inflammatory conditions, produced dose-dependent hepatotoxicity in rats but advanced into the clinic where single doses of CKA up to 600 mg appeared safe in humans.

Nonclinical pharmacokinetics and in vitro metabolism of H3B-6545, a novel selective ERα covalent antagonist (SERCA)

Nonclinical pharmacokinetics and in vitro metabolism of H3B-6545, a novel selective ERα covalent antagonist (SERCA)

Publication: Cancer Chemother Pharmacol
Software: GastroPlus®

H3B-6545, a novel selective estrogen receptor (ER)α covalent antagonist (SERCA) which inactivates both wild-type and mutant ERα, is in clinical development for the treatment of metastatic breast cancer.