Molecular Dynamics Simulation and Pharmacoinformatic Integrated Analysis of Bioactive Phytochemicals from Azadirachta indica (Neem) to Treat Diabetes Mellitus

Table 5

Table depicting the toxicity properties of selected compounds showing compound CID, AMES toxicity, max. Tolerated dose (human), hERG I inhibitor, hERG II inhibitor, oral rat acute toxicity, (LD50) oral rat chronic toxicity (LOAEL), hepato-toxicity, skin sensitisation, T. pyriformis toxicity, and minnow toxicity.

Compound CID	AMES toxicity	Max. tolerated dose (human)	hERG I inhibitor	hERG II inhibitor	Oral rat acute toxicity (LD50)	Oral rat chronic toxicity (LOAEL)	Hepato-toxicity	Skin sensitisation	T. pyriformis toxicity	Minnow toxicity
CID 1886	No	−0.48	No	No	2.791	0.66	No	No	0.304	−0.07
CID 122801	No	−0.658	No	No	2.694	0.534	No	No	0.306	0.243
CID 102090424	No	−0.69	No	No	2.716	1.715	Yes	No	0.359	1.129
CID 101306757	No	−0.625	No	No	3.71	2.28	No	No	0.287	2.354
CID 5311309 (control)	No	0.292	No	No	2.022	1.977	No	No	0.284	0.796