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Table 1 MIC values of Moxifloxacin, gatifloxacin and ofloxacin on various strains of Mycobacterium tuberculosis comprising the four mutant codons in QRDR region of gyrA.

From: Docking studies on novel analogues of 8 methoxy fluoroquinolones against GyrA mutants of Mycobacterium tuberculosis

Strain data

S. No.

Strain No.

MDR status

Resistance to Ofloxacin

Area

MFX

(μg/ml)

GFX

(μg/ml)

OFX

(μg/ml)

First mutant - Codon 90 Ala-Val

1

944284

MDR

R(M)

Goa

5

5

8

 

2

940228

MDR

R(L)

Chennai

NA

NA

32

Binding affinity (kcal/mol)

-7.9

-7.3

-7.4

Second mutant - Codon 94 Asp-Asn

3

936837

MDR

R(H)

Sikkim

NA

NA

64

Binding affinity (kcal/mol)

-7.9

-7.3

-7.4

Third mutant - Codon 94 Asp-Ala

4

912607

MDR

R(H)

Chennai

NA

NA

64

 

5

938424

MDR

R(H)

Karnataka

5

5

16

 

6

937532

MDR

R(M)

Chennai

2

5

8

 

7

939784

MDR

R(M)

Chennai

> 5

2

32

 

8

940183

MDR

R(L)

Sikkim

NA

NA

16

 

9

RF0048

MDR

R(H)

NA

5

5

16

Binding affinity (kcal/mol)

-7.9

-7.4

-7.1

Fourth mutant - Codon 95 Ser-Thr

(Natural polymorphism)

10

910659

MDR

S

Chennai

0.25

1

2

 

11

913168

MDR

R(L)

Chennai

NA

8

16

 

12

916590

MDR

R(M)

Tamil Nadu

NA

8

32

 

13

929925

MDR

R(L)

Chennai

1

1

8

 

14

932503

MDR

S

Chennai

0.5

0.5

2

 

15

933750

MDR

R(H)

NA

5

5

8

 

16

932504

MDR

R(L)

Chennai

2

2

8

 

17

937583

MDR

R(L)

Chennai

1

2

16

 

18

937911

MDR

R(H)

UP

> 5

> 5

32

 

19

938066

Non MDR

S

Chennai

NA

NA

4

 

20

939184

MDR

R(L)

Chennai

NA

NA

8

 

21

939271

MDR

S

Chennai

NA

NA

4

 

22

940586

MDR

R(H)

AP

5

> 5

64

 

23

940742

Non MDR

S

Chennai

1

0.5

4

 

24

941935

INH resistant RMP sensitive

R(L)

Chennai

NA

NA

8

 

25

942100

MDR

R(L)

Chennai

5

5

16

 

26

947356

MDR

R(M)

Chennai

5

2

32

 

27

RF0071

MDR

R(L)

NA

NA

NA

8

 

28

939825

MDR

S

Chennai

1

1

4

 

29

939850

Non MDR

S

Chennai

0.25

0.5

2

 

30

940031

MDR

S

Chennai

0.25

0.5

4

 

31

940033

INH resistant RMP Sensitive

S

Chennai

0.5

0.5

2

 

32

RF0057

Non MDR

S

NA

NA

NA

2

 

33

RF0095

MDR

S

NA

0.5

0.2

2

 

34

RF0096

MDR

S

NA

0.125

0.2

2

 

35

RF0119

MDR

S

NA

NA

NA

2

 

36

RF0130

MDR

S

NA

0.25

0.2

2

 

37

RF0131

MDR

S

NA

0.25

0.5

2

 

38

949998

Non MDR

S

Chennai

1

0.5

4

 

39

950629

MDR

S

Chennai

1

0.5

2

Binding affinity (kcal/mol)

-7.9

-7.3

-7.6

Wild type (H37 Rv)

     

0.25

0.25

< 2

Binding affinity (kcal/mol)

-7.9

-7.4

-7.6