Achromatopsia (ACHM) is a genetically heterogeneous visual disorder, also known as rod monochromatism, in which human...
Evaluating supersaturation in vitro and predicting its performance in vivo with Biphasic Gastrointestinal Simulator: A case study of a BCS IIB drug
This study aimed to develop an evaluation approach for supersaturation by employing an in vitro bio-mimicking apparatus designed to predict in vivo performance.
Got to Write a Classic: Classical and Perturbation-Based QSAR Methods, Machine Learning, and the Monitoring of Nanoparticle Ecotoxicity
Machine learning has become a central feature in the development or refinement of in silico methodologies and techniques.
Ecotoxicological QSARs of Personal Care Products and Biocides
The personal care products (PCPs) constitute various nonmedical products intended only for the application on the body surface...
A Mechanistic Physiologically-Based Biopharmaceutics Modeling (PBBM) Approach to Assess the In Vivo Performance of an Orally Administered Drug Product: From IVIVC to IVIVP
The application of in silico modeling to predict the in vivo outcome of an oral drug product is gaining a lot of interest.
A new MAP-Rasagiline conjugate reduces α-synuclein inclusion formation in a cell model
Parkinson’s disease (PD) is the second most common neurodegenerative disease of the elderly.
Modelling pharmacokinetics and pharmacodynamics of the selective S1P 1 receptor modulator cenerimod in healthy subjects and systemic lupus erythematosus patients
Assessment of time to attain steady state as well as drug accumulation following long-term treatment with the selective sphingosine-1-phosphate 1 (S1P1 ) receptor modulator cenerimod and prediction of the incidence of low total lymphocyte (LY) counts.
Physiologically based pharmacokinetic modelling of oxycodone drug–drug interactions
Oxycodone is an opioid analgesic with several pharmacologically active metabolites and relatively narrow therapeutic index.
Physiologically based pharmacokinetic modelling of oxycodone drug‐drug interactions
Oxycodone is an opioid analgesic with several pharmacologically active metabolites and relatively narrow therapeutic index.
Application of a hemodialysis clearance prediction model using quantitative structure‐pharmacokinetic relationship analysis
Hemodialysis (HD) is a method used to remove biogenic substances or blood components that cause disease and some drugs...
An industrial approach towards solid dosage development for first-in-human studies: Application of predictive science and lean principles
Tablet development is challenging during early clinical phases of drug discovery because of dose uncertainty, limited active pharmaceutical ingredient availability, and short lead times.
Quantitative systems toxicology (QST) reproduces species differences in PF‐04895162 liver safety due to combined mitochondrial and bile acid toxicity
Many compounds that appear promising in preclinical species, fail in human clinical trials due to safety concerns.
Bridging inhaled aerosol dosimetry to physiologically based pharmacokinetic modeling for toxicological assessment: nicotine delivery systems and beyond
One of the challenges for toxicological assessment of inhaled aerosols is to accurately predict their deposited and absorbed dose.
Comparison of the Hepatotoxic Potential of Two Treatments for Autosomal-Dominant Polycystic Kidney DiseaseUsing Quantitative Systems Toxicology Modeling
Autosomal-dominant polycystic kidney disease (ADPKD) is an orphan disease with few current treatment options.
Physiologically Based Pharmacokinetic Model to Support Ophthalmic Suspension Product Development
FDA’s Orange Book lists 17 currently marketed active pharmaceutical ingredients (API) formulated within ophthalmic suspensions in which a majority has 90% or more of the API undissolved.
In Vitro Dissolution and in Silico Modeling Shortcuts in Bioequivalence Testing
To review in vitro testing and simulation platforms that are in current use to predict in vivo performances of generic products as well as other situations to provide evidence for biowaiver and support drug formulations development.
The Significance of Utilizing In Vitro Transfer Model and Media Selection to Study the Dissolution Performance of Weak Ionizable Bases: Investigation Using Saquinavir as a Model Drug
This study investigated the dissolution behavior of BCS class II ionizable weak base Saquinavir and its mesylate salt in the multi-compartment transfer setup employing different composition of dissolution media.
The Evolving Druggability and Developability Space: Chemically Modified New Modalities and Emerging Small Molecules
The druggability and developability space is rapidly evolving in the post-genomic era.
Second basic pKa: An overlooked parameter in predicting phospholipidosis-inducing potential of diamines
In this paper, we present the phospholipidosis-inducing potential (PLIP) of forty fragment-sized diamines derived from N-benzyl-4...
An in vitro toolbox to accelerate anti-malarial drug discovery and development
Modelling and simulation are being increasingly utilized to support the discovery and development of new anti-malarial drugs.