QSAR Modeling and Molecular Docking Analysis of Some Active Compounds against Mycobacterium tuberculosis Receptor (Mtb CYP121)

Table 1

Molecular structure of 1,2,4-Triazole derivatives and their activities.

S/N	Molecules	Experimental; activity; (pBA)
1		4.925
		5.0345
3		5.0064
4		5.7386
		5.5994
		5.4543
7		4.7441
8		6.1674
		6.3456
10		7.4134
11		5.7441
12		5.9258
		5.6754
14		6.3793
15		6.1667
		5.8765
17		6.4171
18		5.9413
19		7.6397
20		8.0899
21		6.3981
22		5.8131
23		6.2878
24		5.7268
25		7.366
		7.0123
27		6.5267
28		5.7405
		5.6533
		6.1923
31		7.3233
32		6.0097
33		6.0928
34		7.3279
35		6.8568
		6.2234
37		7.3079
38		7.314
		8.5854
40		8.0615
41		8.0615
		6.8494
43		7.9432
		7.4535
45		7.9759
46		7.9759
47		7.9294
		6.1213
49		5.4406
		4.9074

Superscript represents the test set.