1 / 6

Interactions with Biocomputing

Interactions with Biocomputing. The Vander Jagt/Royer/Deck group seeks to identify targets and target-directed inhibitors as early “lead” compounds. The group then synthesizes sets of inhibitors for design of first-phase pharmacophores.

luann
Télécharger la présentation

Interactions with Biocomputing

An Image/Link below is provided (as is) to download presentation Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author. Content is provided to you AS IS for your information and personal use only. Download presentation by click this link. While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server. During download, if you can't get a presentation, the file might be deleted by the publisher.

E N D

Presentation Transcript

  1. Interactions with Biocomputing • The Vander Jagt/Royer/Deck group seeks to identify targets and target-directed inhibitors as early “lead” compounds. • The group then synthesizes sets of inhibitors for design of first-phase pharmacophores. • The group then interacts with Dr. Tudor Oprea for virtual screening to identify putative inhibitors for testing and refinement of the pharmacophore, in an iterative procedure.

  2. Urokinase as an Example • Urokinase (uPA) is a serine proteinase that is secreted by cancer cells where it is activated by binding to the uPA receptor (uPAR) located on the surface of the cancer cell. • Activated uPA converts plasminogen to the serine protein plasmin that degrades ECM to aid in tumor cell motility (metastasis).

  3. Identification of a Lead Inhibitor of Human Urokinase Pyrone ring Inhibitor

  4. Virtual Design of an Improved Inhibitor Of Human Urokinase Pyrone ring Inhibitor Guanido

More Related