Physiologically based pharmacokinetic modelling is well established in the pharmaceutical industry and is accepted by regulatory agencies for the prediction of drug–drug interactions.
An Integrated Analysis of Solid Form Change Impact on Solubility and Permeability: Case Study of Oral Exposure in Rats of an RAR Related Orphan Receptor C Inhibitor
It is well acknowledged that the oral absorption of a drug can be influenced by its solubility, which is usually associated with its solid form properties. G1032 is a retinoic acid–related orphan receptor inverse agonist.
Discovery, synthesis and molecular corroborations of medicinally important novel pyrazoles; drug efficacy determinations through in silico, in vitro and cytotoxicity validations
As the global need for drugs getting increases, the necessity of novel and effective drugs are the need of the day.
Analyzing the Mechanisms Behind Macrolide Antibiotic-Induced Liver Injury Using Quantitative Systems Toxicology Modeling
The macrolide class of antibiotics are frequently prescribed antibiotics for otherwise drug-resistant bacterial infections. Several macrolide antibiotics are currently available for clinical use. Erythromycin is the first generation macrolide; it was isolated from the bacteria Saccharopolyspora erythraea in the 1950s.
Revisiting fish toxicity of active pharmaceutical ingredients: Mechanistic insights from integrated ligand-/structure-based assessments on acetylcholinesterase
The release of active pharmaceutical ingredients (APIs) into the environment is of great concern for aquatic ecosystem as many of these chemicals are designed to exert biological activity.
Development, validation and integration of in silico models to identify androgen active chemicals
Humans are exposed to large numbers of environmental chemicals, some of which potentially interfere with the endocrine system.
MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof
Epithelia form barriers that are essential to life.
Mechanistic Investigation of the Androgen Receptor DNA-Binding Domain Inhibitor Pyrvinium
Pyrvinium was identified as the first small molecule inhibitor of the androgen receptor (AR) DNA-binding domain (DBD). It was also among the first small molecules shown to...
Model-Informed Drug Discovery and Development: Current Industry Good Practice and Regulatory Expectations and Future Perspectives
Good practices around model-informed drug discovery and development (MID3) aim to improve the implementation, standardization, and
Metabolization of pharmaceuticals by plants after uptake from water and soil: A review
Residues of pharmaceuticals are ubiquitous in the environment, due to the increased use of drugs for treating humans and animals.
Machine Learning Models for the Prediction of Chemotherapy-Induced Peripheral Neuropathy
Chemotherapy-induced peripheral neuropathy (CIPN) is a common adverse side effect of cancer chemotherapy that can be life debilitating and cause extreme pain.
The in vivo predictive dissolution for immediate release dosage of donepezil and danazol, BCS class IIc drugs, with the GIS and the USP II with biphasic dissolution apparatus
The formulation developments and the in vivo assessment of Biopharmaceutical Classification System (BCS) class II drugs are challenging due to their low solubility and high permeability in the human gastrointestinal (GI) tract.
Challenges in working towards an internal threshold of toxicological concern (iTTC) for use in the safety assessment of cosmetics: Discussions from the Cosmetics Europe iTTC Working Group workshop
The Threshold of Toxicological Concern (TTC) is an important risk assessment tool which establishes acceptable low-level exposure values to be applied to chemicals with limited toxicological data.
Dissolution Testing in Drug Product Development: Workshop Summary Report
This publication summarizes the proceedings and key outcomes of the first day (“Day 1”) of the 3-day workshop on “Dissolution and Translational Modeling Strategies Enabling Patient-Centric Product Development.”
Physiologically Based Pharmacokinetic/ Pharmacodynamic Model for Caffeine Disposition in Pregnancy
Caffeine is the most consumed active stimulant. About 80% of pregnant women consume caffeine orally on daily basis. Many reports indicated consumption of >200 mg caffeine during pregnancy could increase the likelihood of miscarriage.
EDEn–Electroceutical Design Environment: Ion Channel Tissue Expression Database with Small Molecule Modulators
The emerging field of bioelectricity has revealed numerous new roles for ion channels beyond the nervous system, which can be exploited for applications in regenerative medicine.
PBPK Absorption Modeling: Establishing the In Vitro–In Vivo Link—Industry Perspective
The establishment of an in vitro–in vivo correlation (IVIVC) is considered the gold standard to establish in vivo relevance of a dissolution method and to utilize dissolution data in the context of regulatory bioequivalence questions...
PBPK Absorption Modeling of Food Effect and Bioequivalence in Fed State for Two Formulations with Crystalline and Amorphous Forms of BCS 2 Class Drug in Generic Drug Development
Prediction of the effect of food on drug’s pharmacokinetics using modeling and simulation could cause difficulties due to complex in vivo processes.
Predicting the Effects of Different Triazole Antifungal Agents on the Pharmacokinetics of Tamoxifen
Tamoxifen is an antiestrogen drug that is widely used in the adjuvant chemotherapy of estrogen receptor-α (ERα)-positive breast cancer.
A Survey of the Regulatory Requirements for the Acceptance of Foreign Comparator Products by Participating Regulators and Organizations of the International Generic Drug Regulators Programme
The acceptance of foreign comparator products is the most limiting factor for the development and regulatory assessment of generic medicines marketed globally.