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

Table 10

Binding affinity of 1,2,4-Triazole derivatives with M. tuberculosis target (Mtb CYP121).

Ligand	Target	Binding affinity (BA); Kcal/mol
1	Mtb CYP121	−7.3
2	Mtb CYP121	−7.8
3	Mtb CYP121	−8.5
4	Mtb CYP121	−9.1
5	Mtb CYP121	−9.6
6	Mtb CYP121	−9.8
7	Mtb CYP121	−10.3
8	Mtb CYP121	−14.6
9	Mtb CYP121	−9.6
10	Mtb CYP121	−9.6
12	Mtb CYP121	−9.2
13	Mtb CYP121	−11.2
14	Mtb CYP121	−11.2
15	Mtb CYP121	−5.1
11	Mtb CYP121	−9.9
16	Mtb CYP121	−5.3
17	Mtb CYP121	−6.1
18	Mtb CYP121	−7.9
19	Mtb CYP121	−7
20	Mtb CYP121	−7.8
21	Mtb CYP121	−5.5
22	Mtb CYP121	−5.7
23	Mtb CYP121	−5.5
24	Mtb CYP121	−6.9
25	Mtb CYP121	−6.6
26	Mtb CYP121	−6.7
27	Mtb CYP121	−5.4
28	Mtb CYP121	−5.1
29	Mtb CYP121	−5.4
30	Mtb CYP121	−7.5
31	Mtb CYP121	−7.3
32	Mtb CYP121	−6.6
33	Mtb CYP121	−5.6
34	Mtb CYP121	−6
35	Mtb CYP121	−6.3
36	Mtb CYP121	−7.8
37	Mtb CYP121	−7.8
38	Mtb CYP121	−8.4
39	Mtb CYP121	−5.7
40	Mtb CYP121	−6.3
41	Mtb CYP121	−6.3
42	Mtb CYP121	−5.9
43	Mtb CYP121	−5.6
44	Mtb CYP121	−5.5
45	Mtb CYP121	−6.2
46	Mtb CYP121	−5.7
47	Mtb CYP121	−5.9
48	Mtb CYP121	−5.7
49	Mtb CYP121	−5.2
50	Mtb CYP121	−7.8