Pyridine-N-Oxide Alkaloids from Allium stipitatum and Their Synthetic Disulfide Analogs as Potential Drug Candidates against Mycobacterium tuberculosis: A Molecular Docking, QSBAR, and ADMET Prediction Approach

Figure 4

Outcomes from partial least regression analysis in the quantitative structure-binding affinity relationship study. (a) PLS regression fits with cross-validation fits showing good prediction abilities of the models developed for each molecular target. (b) Standardized coefficients of the MDs in the PLS analysis. Red horizontal line is an imaginary line drawn to identify MDs with significant coefficients to the binding on the respective targets.

(a)

(b)