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Thiazolidinedione–triazole conjugates: design, synthesis and probing of the α-amylase inhibitory potential

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posted on 2023-08-08, 10:06 authored by Rahul Singh, Parvin Kumar, Jayant Sindhu, Meena Devi, Ashwani Kumar, Sohan Lal, Devender Singh, Harish Kumar

The supplementary file contains the common definitions of the symbols and equations used to compute different statistical parameters (Supplementary Table 1).

Therefore, the authors used polyethylene glycol-400 as the reaction medium (Supplementary Table 2).

The substrate scope along with melting point and yields of thiazolidinedione–triazole conjugates (7a–7aa) are depicted in Supplementary Table 3.

Supplementary Table 4 presents a summary of the findings from 2D NMR investigations

Based on the statistical performance (Supplementary Tables 5 & 6), it was clear that the developed GA-MLR model IM-1 (R2 ext = 0.7334) was the most statistically stable model, able to make accurate predictions on untested compounds. Equation 3 represents the best-built individual model.

Extensive internal and external statistical validation, AD, Y-scrambling and mechanistic interpretation assessments in accordance withOECDstandardswere used to validate the best individual model (IM-1; SupplementaryTable 5).