Curcumin (CUR) is a major component of turmeric Curcuma longa, which is often used in food or as a dietary supplement.
Gender effect on the pharmacokinetics of thymoquinone: Preclinical investigation and in silico modeling in male and female rats
Thymoquinone is the most biologically active constituent of Nigella sativa (black seed).
A novel strategy for prediction of human plasma protein binding using machine learning techniques
Plasma protein binding (PPB) is a key player of drug ADME (absorption, distribution, metabolism, elimination) behaviors...
Physiologically Based Pharmacokinetic Modeling to Understand the Absorption of Risperidone Orodispersible Film
The aim of the present study was to investigate the absorption routes as well as the potential application of the oral transmucosal...
In silico Toxicity Prediction using an Integrative Multimodel Approach
There is a continual need for new and innovative chemical products to be used in cosmetics, agrochemicals, pharmaceutical products...
Critical impact of drug-drug interactions via intestinal CYP3A in the risk assessment of weak perpetrators using physiologically based pharmacokinetic models
A great deal of effort has been being made to improve the accuracy of the prediction of drug-drug interactions (DDIs).
Selection of In Vivo Predictive Dissolution Media Using Drug Substance and Physiological Properties
The rate and extent of drug dissolution in the gastrointestinal (GI) tract are highly dependent upon drug...
Chapter 3 – Advances in computer-aided drug discovery
Drugs continue to play critical roles in the maintenance of normal body functions.
Novel MscL agonists that allow multiple antibiotics cytoplasmic access activate the channel through a common binding site
The antibiotic resistance crisis is becoming dire, yet in the past several years few potential antibiotics or adjuvants with novel modes of action have been identified.
Repositioning of strongly integrated drugs against achromatopsia (CNGB3)
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.