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. 2022 Jan 31;46(1):24. doi: 10.1186/s42269-022-00704-4

Table 8.

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

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 (+)