Integrating in silico molecular docking, ADMET analysis of C.verticillata with diabetic markers and in vitro anti-inflammatory activity

Future Journal of Pharmaceutical Sciences

Table 4 Toxicity prediction of C.verticillata. LD₅₀- lethal dose, TPSA- topological polar surface area

Name of the compound	Predicted LD₅₀ (mg/kg)	Predicted toxicity class	Carcinogenicity	Immuno toxicity	TPSA	Octanol/water partition (log P)
2-Palmitoylglycerol	5000	5	Inactive	Inactive	66.76	4.36
Loliolide	34	2	Active	Inactive	46.53	1.41
Dihydromonacolin L acid	11,800	2	Inactive	Inactive	77.76	3.23
Pyro pheophorbide a	1300	4	Inactive	Inactive	106.64	5.34