Title

A specific QSAR model for proteasome inhibitors from Oleaeuropaea and Ficuscarica

Authors

Lahmadi Ayoub, El-aliani Aissam, Kasmi Yassine, Elantri Said¹, El Mzibri Mohammed², Aboudkhil Souad^1*

Affiliation

¹Laboratory of Biochemistry, Environment and Agri-Food (URAC 36)-Faculty of sciences and techniques - Mohammedia, Hassan II university Casablanca Morocco;

²Unit of Biology and Medical Research, National Center for Energy, Nuclear Science and Technology. Morocco;

³Green Biotechnology Team, Moroccan Foundation for Advanced Science, Innovation and Research (MAScIR), Mohammadia School of Engineering, Rabat Design Center, Mohammed V University, Morocco.

Email

souadaboudkhil@hotmail.com

Article Type

Hypothesis

Date

Received July 3, 2018; Revised July 6, 2018; Accepted July 6, 2018; Published July 31, 2018

Oleaeuropaea and Ficuscarica are widely used in traditional medicine for the treatment of cancer. Therefore, it is of interest to develop a QSAR model for screening proteasome inhibitors from plant source. Hence, a QSAR model was developed using multiple linear regressions; partial least squares regression and principal component regression methods. Results of QSAR modeling and docking demonstrate that compounds derived from both plants have great potentiality to be proteasome inhibitors. The developed QSAR model highlights a strong structure-effect relationship. The predicted correlation of comparative molecular field analysis, and comparative molecular similarity indexes are 0.963 and 0.919, respectively. Computed absorption, distribution, metabolism, excretion and toxicity studies on these derivatives showed encouraging results with very low toxicity, distribution and absorption.

Keywords

Proteasome, inhibitors, QSAR, Oleaeuropaea, Ficuscarica

Citation

Ayoub et al. Bioinformation 14(7): 384-392 (2018)

Edited by

P Kangueane

ISSN

0973-2063

Publisher

Biomedical Informatics

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.