Structure-Based Virtual Screening of Benzaldehyde Thiosemicarbazone Derivatives against DNA Gyrase B of Mycobacterium tuberculosis

Table 1

PyRx (AutoDock Vina) virtual screening results for benzaldehyde thiosemicarbazone derivatives against DNA gyrase subunit B.

S. no.	Derivatives	Structure	Binding affinity (kcal/mol)
1	Compound 13		−8.5
2	Compound 21		−7.8
3	Compound 20		−7.7
4	Compound 5		−6.9
5	Compound 7		−6.9
6	Compound 1		−6.7
7	Compound 26		−6.7
8	Compound 6		−6.7
9	Compound 28		−6.6
10	Compound 15		−6.6
11	Compound 9		−6.5
12	Compound 27		−6.5
13	Compound 10		−6.4
14	Compound 25		−6.3
15	Compound 19		−6.2
16	Compound 29		−6.2
17	Compound 24		−6.2
18	Compound 30		−6.1
19	Compound 8		−6.1
20	Compound 11		−6.1
21	Compound 12		−6.1
22	Compound 17		−6.1
23	Compound 22		−6.0
24	Compound 4		−5.9
25	Compound 14		−5.9
26	Compound 23		−5.9
27	Compound 2		−5.8
28	Compound 3		−5.7
29	Compound 18		−5.7
30	Compound 16		−5.6