Twenty 9O-substituted palmatine derivatives were prepared and tested for their biological effect against collagen...
The biorelevant simulation of gastric emptying and its impact on model drug dissolution and absorption kinetics
The highly variable physiological conditions within the gastrointestinal tract can cause variable drug release and absorption from the orally administrated dosage forms.
Efficient Pharmacokinetic Modeling Workflow With the MonolixSuite: A Case Study of Remifentanil
MonolixSuite is a software widely used for model‐based drug development.
Synthesis and biological activities of nitro‐hydroxy‐phenylquinolines; validation of antibiotics effect over DNA gyrase inhibition and antimicrobial activity
A family of 11 nitrophenol 2‐nitro‐5‐(4‐substituted phenylquinolin‐2‐yl)phenol derivatives (4, 4a‐j) was effectively...
What does it take to develop a PBPK model that mimics in vivo behavior of LAIs? Part II
This presentation will take a closer look at possible mechanisms affecting behavior of suspensions of low solubility drugs.
In Silico Strategies in Tuberculosis Drug Discovery
Tuberculosis (TB) remains a serious threat to global public health, responsible for an estimated 1.5 million mortalities in 2018.
Pharmacokinetics and pharmacodynamics of three oral formulations of curcumin in rats
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.