Sökning: "Fragment based drug design"

Hittade 4 uppsatser innehållade orden Fragment based drug design.

1. 1. Biophysical characterization of and screening for binders and potentiator compounds that modulate the binding of PDZ domains to the C-terminal peptide motifs of target proteins

   Master-uppsats, KTH/Proteinvetenskap

   Författare :Carl Olsson; [2021]
   Nyckelord :Post synaptic density protein 95; PDZ-domains; N-methyl-D-aspartate receptor; NMDAR hypofunctional hypothesis; GluN2b; Differential scanning fluorimetry; Surface plasmon resonance; Fragment based drug design; Assay development;

   Sammanfattning : The N-methyl-D-aspartate receptor (NMDAR) hypofunctional hypothesis is believed to explain one of the contributing factors to schizophrenia. This hypothesis suggests the dysregulation of NMDAR, a protein responsible for receiving signals from the synapses between neurons, is the cause of some of the symptoms seen in schizophrenia. LÄS MER

3. 2. Evaluation of Fragment-Based Virtual Screening by Applying Docking on Fragments obtained from Optimized Ligands

   Master-uppsats, Uppsala universitet/Institutionen för läkemedelskemi

   Författare :Sabia Nawsheen; [2021]
   Nyckelord :Fragments; virtual screening; Glide; docking;

   Sammanfattning : Fragment-based virtual screening is an in-silico method that potentially identifies new startingpoints for drug molecules and provides an inexpensive and fast exploration of the relevantchemical space compared to its experimental counterpart. It focuses on docking small potentialbinding fragments to a binding pocket and is used to design improved binders by growing thefragments or joining fragments using suitable linkers. LÄS MER

4. 3. Fragment-screening by X-ray crystallography of human vaccinia related kinase 1

   Master-uppsats, Linköpings universitet/Institutionen för fysik, kemi och biologi

   Författare :Yousif Ali Rashid Majid; [2020]
   Nyckelord :Fragment based drug discovery; X-ray crystallography; screening; vaccinia related kinase 1; crystal optimization; fragment library design; differential scanning fluorimetry; Sprint Bioscience;

   Sammanfattning : Fragment-screening by X-ray crystallography (XFS) is an expensive and low throughput fragment drug discovery screening method, and it requires a lot of optimization for each protein target. The advantages with this screening method are that it is very sensitive, it directly gives the three-dimensional structure of the protein-fragment complexes, and false positives are rarely obtained. LÄS MER

5. 4. Synthesis of Substituted Pyrrolidines

   Master-uppsats, KTH/Skolan för kemivetenskap (CHE)

   Författare :Olof Sjölin; [2016]
   Nyckelord :Pyrrolidines; Multistep synthesis; Fragment-based drug design; Drug discovery; Organic chemistry;

   Sammanfattning : The task of medicinal chemists in a drug discoveryproject is to synthesize/design analogues to the screening hits, simultaneouslyincreasing target potency and optimizing the pharmacological properties.  This requires a wide selection of moleculesto be synthesized, where both synthetic feasibility and price of startingmaterials are of great importance. LÄS MER