Antiviral Drugs: Molecular Modeling and QSAR

摘要

In order to provide guidance for a USAMRIID drug development program, anassessment was made of the major needs of USAMRIID in this field. Methods and techniques were implemented to fulfill these requirements. Because of the paucity and lack of quality of objective assesment of antiviral activity of compounds being explored, a major effort involved developing novel methodology that could deal successfully with these data. Only when LSM workers were granted free access to computerized data bases developed for USAMRIID by Techna Associates was progress forthcoming on the effort. Software was developed using the Atoms Pairs method to describe the topology of compounds under investigation. This has produced a method to identify lead compounds, to identify cogenes to active compounds not in the Technq database and to identify new types of compounds not previously investigated for antiviral activity. Drug discovery, QSAR, Antiviral drugs, Atom pairs method, RA 1.