Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 4 of 4 for “"Ligand-based design"”.
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Structure- and Ligand-Based Design of Novel Antimicrobial Agents
<p>The use of computer based techniques in the design of novel therapeutic agents is a rapidly emerging field. Although the drug-design techniques utilized by Computational Medicinal Chemists vary greatly, they can roughly be classified into structure-based and ligand-based approaches. …
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Ligand-based design of dopamine reuptake inhibitors : fuzzy relational clustering and 2-D and 3-D QSAR modleing
… any attempt to model the binding of drug-like ligands to this protein must necessarily include strategies that use ligand information. For flexible ligands that bind to the DAT, the identification of the binding conformation becomes an important but challenging task. In the first part of this …
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Computer-Aided Design of Ligands at Multiple Protein Targets for Multifactorial Diseases
… drug discovery predominately focuses on the design of ligands with high selectivity towards a specific biological target. A significant limitation in the case of multi-factorial diseases (e.g. neurodegenerative disorders) is that effective therapy may require multi-target drugs addressing the …
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Expression, inhibition and in silico modelling of human neuronal nitric oxide synthase
… selective human nNOS inhibitors. This structure based approach was complimented by the use of a ligand based design approach. To do this, a pharmacophore was constructed and used for high throughput screening for the identification of novel inhibitory compounds. The pharmacokinetic properties of …