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Table 8 Toxicity report carried out using ProTox-II and STopTox server for top ligand compounds

From: In silico prediction and structure-based multitargeted molecular docking analysis of selected bioactive compounds against mucormycosis

S. no

Ligand name

ProTox-II

STopTox

predicted LD50 (mg/kg)

Toxicity class

Acute inhalation Toxicity

Acute dermal toxicity

Eye irritation and corrosion

Skin sensitisation

1

12,28-Oxamanzamine A

4

1

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

2

Parsiguine

850

4

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Sensitizer (+)

3

Haliclonacyclamine B

652

4

Toxic (+)

Toxic (+)

Toxic (+)

Sensitizer (+)

4

Vialinin B

5000

5

Non-toxic (−)

Toxic (+)

Non-toxic (−)

Sensitizer (+)

5

6-Deoxymanzamine X

4

1

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

6

Natamycin

1500

4

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

7

Olorofim

1420

4

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

8

Deoxytopsentin

1264

4

Non-toxic (−)

Non-toxic (−)

Non-toxic (−)

Non-sensitizer (−)

9

Manzamine E

9

2

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

10

Fascioquinol A

2000

4

Toxic (+)

Non-toxic (−)

Non-toxic (−)

Non-sensitizer (−)

11

Pramiconazole

320

4

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

12

Fascioquinol D

5000

5

Non-toxic (−)

Non-toxic (−)

Non-toxic (−)

Sensitizer (+)

13

Saperconazole

4000

5

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

14

Nakadomarin A

1000

4

Toxic (+)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

15

Plakinamine A

1000

4

Toxic (+)

Toxic (+)

Non-toxic (−)

Non-sensitizer (−)

16

Fascioquinol C

1743

4

Non-toxic (−)

Non-toxic (−)

Non-toxic (−)

Sensitizer (+)

17

Hesperidin

12,000

6

Non-toxic (−)

Toxic (+)

Non-toxic (−)

Non- Sensitizer (−)

18

Epoxyazadiradione

555

5

Non-toxic (−)

Non-toxic (−)

Non-toxic (−)

Non- Sensitizer (−)

19

Manzamine A

4

1

Non-toxic (−)

Non-toxic (−)

Toxic (+)

Non-sensitizer (−)

20

Halicyclamine A

460

4

Toxic (+)

Toxic (+)

Toxic (+)

Sensitizer (+)

21

Tetrahydrohaliclonacyclamine A

194

3

Toxic (+)

Toxic (+)

Toxic (+)

Sensitizer (+)

22

Phaeosphenone

221

3

Non-toxic (−)

Non-toxic (−)

Non-toxic (−)

Non-sensitizer (−)

23

Goniodomin A

500

4

Non-toxic (−)

Non-toxic (−)

Non-toxic (−)

Non-sensitizer (−)

24

Stelletin A

800

4

Non-toxic (−)

Non-toxic (−)

Non-toxic (−)

Sensitizer (+)