International Scholarly Research Notices

Research Article

2D-QSAR, Docking Studies, and In Silico ADMET Prediction of Polyphenolic Acetates as Substrates for Protein Acetyltransferase Function of Glutamine Synthetase of Mycobacterium tuberculosis

Table 3

Descriptors included in the best model obtained for antimycobacterial and TAase activity.


	Descriptor	Coefficient^a	Jackknife SE^b	Covariance SE^c	-value^d	-probability^e

	X1: Balaban topological index (Substituent 2)	0.25917	0.12484	0.050123	5.1706	0.0020731
Antimycobacterial activity	X2: Number of N atoms (Substituent 2)	0.84199	0.10326	0.07821	10.766
Antimycobacterial activity	X3: quadrupole XX component (whole molecule)	0.064479	0.028036	0.032179	2.0037	0.091947
	C: constant	4.0866	0.43577

MTAase activity	X1: balaban topological index (Substituent 2)	0.13387	0.018757	0.027883	4.8012	0.0007223
MTAase activity	C: constant	2.8493	0.045981

^aThe regressions coefficient for each variable in the QSAR equations. ^bAn estimate of the standard error on each regression coefficient derived from a jack knife method on the final regression model. ^cAn estimate of the standard error on each regression coefficient derived from covariance matrix. ^dMeasures the significance of each variable included in the final model.
^estatistical significance for values.