Synthesis, Characterization and Theoretical Studies of Novel Phosphonates as uPA Inhibitors

Author(s): Ahmed M. El-Nahas, Omar M. Ali, Nagy M. Khalifa, Basma S. Ghazal.

Journal Name: Current Organic Chemistry

Volume 18 , Issue 5 , 2014

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Abstract:

Synthesis and characterization of some novel phosphonate derivatives as uPA inhibitors have been conducted. HOMO and LUMO energies, NPA charges, electrophilicity index and vibrational frequencies were calculated for the current and previously reported phosphonates. Based on the calculated properties, the results obtained indicate that the novel compounds are expected to be more potent than other phosphonates.

Keywords: DFT, electrophilicity, phosphonates synthesis, uPA inhibitors, SAR.

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Article Details

VOLUME: 18
ISSUE: 5
Year: 2014
Page: [629 - 639]
Pages: 11
DOI: 10.2174/13852728113176660134
Price: $58

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