Abstract: Compounds inhibitory to Staphylococcus pseudintermedius Sortase A (SrtA) are identified. The compounds inhibit cell wall-associated protein anchoring to the bacterial cell wall, thus potentially reducing bacterial virulence.

Abstract: Compounds inhibitory to Staphylococcus pseudintermedius Sortase A (SrtA) are identified. The compounds inhibit cell wall-associated protein anchoring to the bacterial cell wall, thus potentially reducing bacterial virulence.

Abstract: Aspects of the present invention include probes, methods, systems that have stand alone utility and may comprise features of a drug discovery system or method. The present invention also includes pharmaceutical compositions. In more detail, the present invention provides molecular probes and methods for producing molecular probes. The present invention provides also provides systems and methods for new drug discovery. An embodiment of the present invention utilizes sets of probes of the present invention and a new approach to computational chemistry in a drug discovery method having increased focus in comparison to heretofore utilized combinatorial chemistry. The present invention also provides computer software and hardware tools useful in drug discovery systems.

Abstract: Systems and methods for integrating a computer-aided molecular discovery process across a plurality of computer-aided molecular discovery applications are described. In one embodiment, an integrated user interface provides the user with access to the capabilities from a broad array of commercial and custom application modules, such as calculation engines. In another embodiment of this invention a heterogeneous cluster provides the ability to divide the processing required for a molecular discovery process to increase efficiency and reduce the time required to perform molecular discovery.

Abstract: Aspects of the present invention include probes, methods, systems that have stand alone utility and may comprise features of a drug discovery system or method. The present invention also includes pharmaceutical compositions.