New Ketonethiosemicarbazones for Melanogenesis Inhibition

Title:New Ketonethiosemicarbazones for Melanogenesis Inhibition

Volume: 10 Issue: 3

Author(s): Karina A. Barros, Cheila N. G. Bedor, Carlton A. Taft and Antonio C. Pavao

Affiliation:

Keywords: DFT calculations, ketonethiosemicarbazone, melanogenesis, structure activity relationship.

Abstract: Through a statistical analysis of electronic parameters obtained from DFT calculations we were able to predict the IC50 of ketonethiosemicarbazone derivatives. A quantitative study of the structure-activity with multiple linear regression was performed, using the electronic parameters: electron affinity, HOMO-LUMO energy gap, atomic charges of N, dipole moment and the lipophilicity of the compounds studied. The results indicate a good agreement with existing experimental data and allow us to suggest two new compounds as candidates for anti-tumor agents.

Cite this article as:

Barros A. Karina, Bedor N. G. Cheila, Taft A. Carlton and Pavao C. Antonio, New Ketonethiosemicarbazones for Melanogenesis Inhibition, Current Bioactive Compounds 2014; 10 (3) . https://dx.doi.org/10.2174/157340721003141013142159