In Silico Inhibitability of Copper Carbenes and Silylenes against Rhizoctonia solani and Magnaporthe oryzae

Table 4

Prescreening results on inhibitability of copper lighter tetrylenes Cu-NHC1, Cu-NHSi1, Cu-NHC2, and Cu-NHSi2 towards the potential sites on proteins 4G9M and 6JBR.

Complex

Protein 4G9M

Protein 6JBR

Site 1

Site 2

Site 3

Site 4

Site 1

Site 2

Site 3

Site 4

E

N

E

N

E

N

E

N

E

N

E

N

E

N

E

N

Cu-NHC1

–11.4

2

–9.7

1

–9.2

1

–10.2

2

–12.3

5

–9.6

2

–10.7

3

–10.9

3

Cu-NHSi1

–9.2

1

–9.8

2

–8.9

1

–11.8

2

–12.6

4

–9.3

1

–11.0

3

–10.7

3

Cu-NHC2

–12.9

5

–9.3

1

–9.7

1

–10.5

3

–13.0

4

–10.3

3

–10.9

3

–11.2

3

Cu-NHSi2

–10.1

2

–9.3

1

–9.5

1

–11.7

2

–13.4

7

–9.7

1

–11.6

3

–10.9

2

(E): DS value (kcal⋅mol⁻¹); (N): number of interactions.