Quantitative Structure-Activity Relationships of 1.2.3 Triazole Derivatives as Aromatase Inhibition Activity

Authors : Mebarka OUASSAF, Salah BELAIDI, İmane BENBRAHİM, Houmam BELAİDİ, Samir CHTİTA

Pages : 1-11

Doi:10.33435/tcandtc.545369

View : 8 | Download : 4

Publication Date : 2020-06-15

Article Type : Research Paper

Abstract :Aromatase is an estrogen biosynthesis enzyme belonging to the cytochrome P450 family that catalyzes the rate-limiting step of converting androgens to estrogens. As it is pertinent toward tumor cell growth promotion aromatase is a lucrative therapeutic target for breast cancer. In the pursuit of robust aromatase inhibitors, a set of thirty 1-substituted mono- and bis-benzonitrile or phenyl analogs of 1.2.3-triazole letrozole were employed in quantitative structure activity relationship insert ignore into journalissuearticles values(QSAR); study using multiple linear regression insert ignore into journalissuearticles values(MLR);.The results demonstrated good predictive ability for the MLR model. After dividing the dataset into training and test set. The models were statistically robust internally insert ignore into journalissuearticles values(R2 = 0.982); and the model predictability was tested by several parameters, including the external criteria insert ignore into journalissuearticles values(R2pred = 0.851. CCC= 0.946);. Insights gained from the present study are anticipated to provide pertinent information contributing to the origins of aromatase inhibitory activity and therefore aid in our on-going quest for aromatase inhibitors with robust properties.
Keywords : 1 2 3 triazole, Aromatase inhibitors, QSAR, MLR