Design, synthesis, and proposed active site binding analysis of monocyclic 2-azetidinone inhibitors of prostate specific antigen

…, AM McNulty, BL Neubauer, GJ Pritchard

Index: Adlington; Baldwin; Becker; Chen; Cheng; Cooper; Hermann; Howe; McCoull; McNulty; Neubauer; Pritchard Journal of Medicinal Chemistry, 2001 , vol. 44, # 10 p. 1491 - 1508

Full Text: HTML

Citation Number: 67

Abstract

A homology derived molecular model of prostate specific antigen (PSA) was created and refined. The active site region was investigated for specific interacting functionality and a binding model postulated for the novel 2-azetidinone acyl enzyme inhibitor 1 (IC50= 8.98±0.90 μM) which was used as a lead compound in this study. A single low energy conformation structure II (Figure 2) was adopted as most likely to represent binding after ...

Related Articles:

Computational predictions of binding affinities to dihydrofolate reductase: synthesis and biological evaluation of methotrexate analogues

[Journal of Medicinal Chemistry, , vol. 43, # 21 p. 3852 - 3861]

Design, synthesis, and proposed active site binding analysis of monocyclic 2-azetidinone inhibitors of prostate specific antigen

[Journal of Medicinal Chemistry, , vol. 44, # 10 p. 1491 - 1508]

Development of amidine-based sphingosine kinase 1 nanomolar inhibitors and reduction of sphingosine 1-phosphate in human leukemia cells

[Kennedy, Andrew J.; Mathews, Thomas P.; Kharel, Yugesh; Field, Saundra D.; Moyer, Morgan L.; East, James E.; Houck, Joseph D.; Lynch, Kevin R.; MacDonald, Timothy L. Journal of Medicinal Chemistry, 2011 , vol. 54, # 10 p. 3524 - 3548]

More Articles...