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

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

Volume: 18 Issue: 5

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

Affiliation:

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

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.

Cite this article as:

M. El-Nahas Ahmed, M. Ali Omar, M. Khalifa Nagy and S. Ghazal Basma, Synthesis, Characterization and Theoretical Studies of Novel Phosphonates as uPA Inhibitors, Current Organic Chemistry 2014; 18 (5) . https://dx.doi.org/10.2174/13852728113176660134