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: PBPK

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®

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.

Synthesis, Molecular Docking, and Antimycotic Evaluation of Some 3-Acyl Imidazo[1,2-a]pyrimidines

Synthesis, Molecular Docking, and Antimycotic Evaluation of Some 3-Acyl Imidazo[1,2-a]pyrimidines

Publication: Molecules

A series of 3-benzoyl imidazo[1,2-a]pyrimidines, obtained from N-heteroarylformamidines in good yields, was tested in silico and in vitro for binding and inhibition of seven Candida species...

Applying GastroPlus Modeling Establish Level A IVIVCs Waive Biostudies

Applying GastroPlus Modeling Establish Level A IVIVCs Waive Biostudies

Authors: Novakovic J
Software: GastroPlus®
Division: PBPK

Bioavailability/bioequivalence (BA/BE) evaluation by employing in vitro dissolution/release data and clinically relevant specification is required by the regulators. For BCS 1/BCS 3 drugs formulated as immediate release (IR) oral dosage forms, a BCS-based biowaiver may be granted based on the in vitro dissolution profiles generated across the physiologically relevant pH range. For drugs/formulations with dissolution/release limited/controlled absorption, establishing Level A in vitro – in vivo correlations (IVIVCs) can be applied and further utilized to assess whether BA/BE is recommended.

ETCM: an encyclopaedia of traditional Chinese medicine

ETCM: an encyclopaedia of traditional Chinese medicine

Publication: Nucleic Acids Res
Software: MedChem Studio™

Traditional Chinese medicine (TCM) is not only an effective solution for primary health care, but also a great resource for drug innovation and discovery.

Data Standards for Model-Informed Drug Development: an ISoP Initiative

Data Standards for Model-Informed Drug Development: an ISoP Initiative

Publication: J Pharmacokinet Pharmacodyn
Keywords: pharmacometrics

Analysis datasets are fundamental components of pharmacometric analyses and their quality and readiness highly correlate with

Evaluation of Potential Carcinogenicity of Organic Chemicals in Synthetic Turf Crumb Rubber

Evaluation of Potential Carcinogenicity of Organic Chemicals in Synthetic Turf Crumb Rubber

Publication: Environ Res
Software: ADMET Predictor®

Currently, there are >11,000 synthetic turf athletic fields in the United States and >13,000 in Europe. Concerns have been raised about exposure to carcinogenic chemicals resulting from...

Population pharmacokinetics and exposure – safety analyses of nivolumab in patients with relapsed or refractory classical hodgkin lymphoma

Population pharmacokinetics and exposure – safety analyses of nivolumab in patients with relapsed or refractory classical hodgkin lymphoma

Publication: J Clin Pharmacol

Nivolumab, a fully human immunoglobulin G4 monoclonal anti-programmed death-1 antibody, has demonstrated clinical benefits in multiple tumors, including classical Hodgkin lymphoma.

Use of In Silico Mechanistic Models to Support Interspecies Extrapolation of Oral Bioavailability and Formulation Optimization: Model Example Using GastroPlus™

Use of In Silico Mechanistic Models to Support Interspecies Extrapolation of Oral Bioavailability and Formulation Optimization: Model Example Using GastroPlus™

Authors: Lukacova V
Conference: USP
Software: GastroPlus®
Division: PBPK

PBPK models provide unique platform to combine information from in vitro, in silico and animal assays for accurate prediction of complex drug behavior in vivo