Sökning: "in silico prediction"
Visar resultat 1 - 5 av 27 avhandlingar innehållade orden in silico prediction.
1. Investigation and Prediction of Small Intestinal Precipitation of Poorly Soluble Drugs : a Study Involving in silico, in vitro and in vivo Assessment
Sammanfattning : The main objectives of the present project were to increase the understanding of small intestinal precipitation of poorly soluble pharmaceutical drugs, investigate occurrence of crystalline small intestinal precipitation and effects of precipitation on absorption. The aim was to create and evaluate methods of predicting crystalline small intestinal drug precipitation using in vivo, in vitro and in silico models. LÄS MER
2. Development of Methods for Assessing Unbound Drug Exposure in the Brain : In vivo, in vitro and in silico
Sammanfattning : The blood-brain barrier is formed by tightly joined capillary cells with transporter proteins and acts as to regulate the brain concentration of nutrients as well as many drugs. When developing central nervous system drugs it is necessary to measure the unbound drug concentration in the brain, i.e. the unbound brain exposure. LÄS MER
3. In silico prediction of CIS-regulatory elements
Sammanfattning : As one of the most fundamental processes for all life forms, transcriptional regulation remains an intriguing and challenging subject for biomedical research. Experimental efforts towards understanding the regulation of genes is laborious and expensive, but can be substantially accelerated with the use of computational predictions. LÄS MER
4. In vitro and in silico prediction of drug-drug interactions with transport proteins
Sammanfattning : Drug transport across cells and cell membranes in the human body is crucial for the pharmacological effect of drugs. Active transport governed by transport proteins plays an important role in this process. A vast number of transport proteins with a wide tissue distribution have been identified during the last 15 years. LÄS MER
5. Confidence Predictions in Pharmaceutical Sciences
Sammanfattning : The main focus of this thesis has been on Quantitative Structure Activity Relationship (QSAR) modeling using methods producing valid measures of uncertainty. The goal of QSAR is to prospectively predict the outcome from assays, such as ADMET (Absorption, Distribution, Metabolism, Excretion), toxicity and on- and off-target interactions, for novel compounds. LÄS MER