||Kinetic Characterization and Molecular Docking of a Novel, Potent, and Selective Slow-Binding Inhibitor of Human Cathepsin L
Parag P. Shah, Michael C. Myers, Mary Pat Beavers, Jeremy E. Purvis, Huiyan Jing, Heather J. Grieser, Elizabeth R. Sharlow, Andrew D. Napper, Donna M. Huryn, Barry S. Cooperman, Amos B. Smith, III, and Scott L. Diamond
Mol Pharmacol 2008 74: 34-41. Published online April 10, 2008
[Abstract] [Full Text] [PDF]
||Molecular Docking of Cathepsin L Inhibitors in the Binding Site of Papain.
Mary Pat Beavers, Michael C. Myers, Parag P. Shah, Jeremy E. Purvis, Scott L. Diamond, Barry S. Cooperman, Donna M. Huryn, and Amos B. Smith.
J Chem Inf Model. 2008 48(7):
[Abstract] [Full Text] [PDF]
The Institute for Translational Medicine and Therapeutics (ITMAT) and the Penn Center for Molecular Discovery (PCMD) are pleased to announce opportunities for chemical high throughput screening (HTS) of up to 25,000 compounds against biochemical, cellular, or organism targets of interest, along with hit-to-lead chemistry. A 2-page proposal submitted by 5 pm on Dec. 14, 2007 is required. Investigators can request up to $20,000 for supplies only. Funding begins February 1, 2008. Please download a PDF of the submission guidelines.
The PCMD hosted the Spring 2007 conference of the Molecular Library Screening Center Network on April 30 - May 1. To see photos of our lab tour, click here.
Penn Receives $9.5 Million Grant from NIH as Part of National
Screening Network to Discover Active Molecules
The University of Pennsylvania is receiving $9.5 million from the National Institutes of Health during the next three years to establish
the Penn Center for Molecular Discovery. The Penn team will screen
the NIH repository of compounds to discover new biological interactions.
"Small molecules come in an astronomically large variety of
shapes and sizes that dwarfs the number of genes in the human genome.
Finding the important ones within the NIH repository is a classic
needle-in-the-haystack challenge," said Scott Diamond, professor
of chemical and biomolecular engineering and director of the new
The Penn Center for Molecular Discovery approaches this high volume
screening challenge with unique capabilities. “We can probe
chemical-biological interactions in nanoliter volumes the size of
a speck of dust,” Diamond said, who has invented a new technology
to print thousand of molecules on a glass surface the size of a
business card and then rapidly test these molecules against proteases
and other enzymes purified from human or animal cells, bacteria,
parasites, insects or viruses. Penn will also be able to test compounds
in thousands of miniature wells each containing a millimeter-sized
zebra fish, an unlikely organism that has proven its worth in studies
of heart or nerve function as well as in cancer biology because
the transparent fish is easily imaged.
$9.5 Million Grant from NIH as Part of National Screening Network
to Discover Active Molecules [June 15, 2005]