<abstract xmlns="http://www.w3.org/1999/xhtml"><p> The main objective of the present study was to establish significant and validated QSAR models for imidazoles and sulfonamides to explore the relationship between their physicochemical properties and antidiabetic activity. Two dimensional QSAR models had been developed by multiple linear regression and partial least square analysis methods, and then validated for internal and external predictions. The established 2D QSAR models were statistically significant and highly predictive. The validation methods provided significant statistical parameters with q2 > 0.5 and pred_r2 > 0.6, which proved the predictive power of the models. The developed 2D QSAR models revealed the significance of SlogP and T_N_O_5, and Mol.Wt and SsBrE-index properties of imidazoles and sulfonamides on their antidiabetic activity, respectively. These results should prove to be an essential guide for the further design and development of new imidazoles and sulfonamides having better antidiabetic activity.</p></abstract>

The main objective of the present study was to establish significant and validated QSAR models for imidazoles and sulfonamides to explore the relationship between their physicochemical properties and antidiabetic activity. Two dimensional QSAR models had been developed by multiple linear regression and partial least square analysis methods, and then validated for internal and external predictions. The established 2D QSAR models were statistically significant and highly predictive. The validation methods provided significant statistical parameters with q2 > 0.5 and pred_r2 > 0.6, which proved the predictive power of the models. The developed 2D QSAR models revealed the significance of SlogP and T_N_O_5, and Mol.Wt and SsBrE-index properties of imidazoles and sulfonamides on their antidiabetic activity, respectively. These results should prove to be an essential guide for the further design and development of new imidazoles and sulfonamides having better antidiabetic activity.

QSAR studies on imidazoles and sulfonamides as antidiabetic agents

Ovidius University Annals of Chemistry

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

{"article-title":"QSAR studies on imidazoles and sulfonamides as antidiabetic agents"}

The main objective of the present study was to establish significant and validated QSAR models for imidazoles and sulfonamides to explore the relationship...

QSAR studies on imidazoles and sulfonamides as antidiabetic agents

Data publikacji: 28 lut 2019

Zakres stron: 5 - 13

Otrzymano: 23 gru 2018

Przyjęty: 13 lut 2019

DOI: https://doi.org/10.2478/auoc-2019-0002

Słowa kluczowe
antidiabetic, physicochemical properties, QSAR, validatio

© 2019 Veerasamy Ravichandran, Rajak Harish, published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

QSAR studies on imidazoles and sulfonamides as antidiabetic agents

Data publikacji: 28 lut 2019

Zakres stron: 5 - 13

Otrzymano: 23 gru 2018

Przyjęty: 13 lut 2019

DOI: https://doi.org/10.2478/auoc-2019-0002

Słowa kluczoweantidiabetic, physicochemical properties, QSAR, validatio

© 2019 Veerasamy Ravichandran, Rajak Harish, published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Słowa kluczowe
antidiabetic, physicochemical properties, QSAR, validatio