Molecular Modeling in Metal Based Imaging Agent Design

Reichert, David E.

Abstract

Funding Agency

• Agency: National Institute of Health (NIH)
• Institute: National Institute of Biomedical Imaging and Bioengineering (NIBIB)
• Type: Research Project (R01)
• Project #: 5R01EB000340-04
• Application #: 6748463
• Study Section: Diagnostic Radiology Study Section (RNM)
• Program Officer: Zhang, Yantian
• Project Start: 2001-07-01
• Project End: 2006-06-30
• Budget Start: 2004-07-01
• Budget End: 2005-06-30
• Support Year: 4
• Fiscal Year: 2004
• Total Cost: $138,600

Institution

• Name: Washington University
• Department: Radiation-Diagnostic/Oncology
• Type: Schools of Medicine
• DUNS #: 068552207
• City: Saint Louis
• State: MO
• Country: United States
• Zip Code: 63130

Publications

Wolohan, Peter; Reichert, David E (2007) CoMSIA and docking study of rhenium based estrogen receptor ligand analogs. Steroids 72:247-60

Wolohan, Peter; Reichert, David E (2007) Molecular modeling of hexakis(areneisonitrile)technetium(I), tricarbonyl eta5 cyclopentadienyl technetium and technetium(V)-oxo complexes: MM3 parameter development and prediction of biological properties. J Mol Graph Model 25:616-32

Chu, Wenhua; Zhang, Jun; Zeng, Chenbo et al. (2005) N-benzylisatin sulfonamide analogues as potent caspase-3 inhibitors: synthesis, in vitro activity, and molecular modeling studies. J Med Chem 48:7637-47

Wolohan, Peter; Yoo, Jeongsoo; Welch, Michael J et al. (2005) QSAR studies of copper azamacrocycles and thiosemicarbazones: MM3 parameter development and prediction of biological properties. J Med Chem 48:5561-9

Wolohan, Peter; Reichert, David E (2004) Use of binding energy in comparative molecular field analysis of isoform selective estrogen receptor ligands. J Mol Graph Model 23:23-38

Wolohan, Peter; Reichert, David E (2003) CoMFA and docking study of novel estrogen receptor subtype selective ligands. J Comput Aided Mol Des 17:313-28