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Current Organic Chemistry

Editor-in-Chief

ISSN (Print): 1385-2728
ISSN (Online): 1875-5348

Research Article

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

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

Volume 18 , Issue 5 , 2014

Page: [629 - 639] Pages: 11

DOI: 10.2174/13852728113176660134

Price: $65

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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