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Dissertations

Theses/Dissertations

2015

Bioactivity prediction

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Full-Text Articles in Engineering

Molecular Modeling Of Sigma 1 And Sigma 2 Receptor Ligands: Pharmacophore Development And Comparison Using Discotech And Bioactivity Prediction Comparison Of Ab Initio And Density Functional Comfa Studies For Spiro And Other Receptor Ligands, Lisa M. Kardos Jan 2015

Molecular Modeling Of Sigma 1 And Sigma 2 Receptor Ligands: Pharmacophore Development And Comparison Using Discotech And Bioactivity Prediction Comparison Of Ab Initio And Density Functional Comfa Studies For Spiro And Other Receptor Ligands, Lisa M. Kardos

Dissertations

The role of the biological receptor is currently being studied by researchers in medicine. Information about sigma receptors in particular can be gained by studying the ligands associated with each type, sigma 1 or sigma 2. Sigma 1 receptor ligands consist of drug candidates that often have psychiatric and neurological applications; sigma 2 receptor ligands consist of drug candidates that have been linked with cancer treatment among other applications.

Molecular modeling of biological receptor ligands often encompasses pharmacophore development and Comparative Molecular Field Analysis (CoMFA). Pharmacophore models are developed to understand the unique features such as binding groups that make …