Sökning: "pharmacophore modeling"
Hittade 3 avhandlingar innehållade orden pharmacophore modeling.
1. Selectivity of dopamine D1 and D2 receptor agonists – A combined computational approach
Sammanfattning : Dopamine (DA) is an endogenous neurotransmitter acting in the central nervous system. DA plays a key role in many vital brain functions such as behavior, cognition, motor activity, learning, and reward. Dopamine receptors belong to the rhodopsin like family of G-protein coupled receptors (GPCRs). LÄS MER
2. Computational Modeling of the AT2 Receptor and AT2 Receptor Ligands : Investigating Ligand Binding, Structure–Activity Relationships, and Receptor-Bound Models
Sammanfattning : Rational conversion of biologically active peptides to nonpeptide compounds with retained activity is an appealing approach in drug development. One important objective of the work presented in this thesis was to use computational modeling to aid in such a conversion of the peptide angiotensin II (Ang II, Asp-Arg-Val-Tyr-Ile-His-Pro-Phe). LÄS MER
3. Experimental and computational investigation of affinity and selectivity factors in CYP2D6 and CYP3A4 mediated metabolism
Sammanfattning : The assessment of ADME properties and metabolic behavior of a drug is central in drug discovery and drug design. The main target for studies of metabolic properties is the Cytochrome P450 (CYP), which is responsible for the metabolism of a majority of drugs on the market and consequently also involved in many drug-drug interactions. LÄS MER
