Tsai CC, Lesniewski ML, Parakulam RR; International Conference on Antiviral Research.
Antiviral Res. 1998 Mar; 37: A59 (abstract no. 67).
Department of Chemistry, Kent State University, OH.
Quantitative structure-activity relationships (QSAR) were developed for three series of compounds (nucleoside analogs, integrase inhibitors, and non-peptide protease inhibitors) with anti-HIV activity. The series were independently investigated to determine the correlation of structure and activity using molecular similarity analysis and structure-activity maps. A multiple-formula approach was used to perform quantitative molecular similarity analysis (QMSA) and QSAR study. Molecular descriptors such as molecular topological number (NAB), maximum common substructure (MaCS), minimum common superstructure (MiCS), and molecular similarity index (MSI) were used in our structure-activity relationship study, structure-activity maps and QMSA were used to determine the site and type of modification for improved activity and reduced toxicity of new compounds.
Publication Types:
Keywords:
- Anti-HIV Agents
- Antiviral Agents
- Biomedical Research
- Integrase Inhibitors
- Protease Inhibitors
- Quantitative Structure-Activity Relationship
- Research
- Structure-Activity Relationship
Other ID:
UI: 102236591
From Meeting Abstracts