Treating Diabetes Mellitus: Pharmacophore Based Designing of Potential Drugs from Gymnema sylvestre against Insulin Receptor Protein

Table 1

ADMET properties of Gymnema sylvestre compounds. Most data of ADMET properties were measured according to a measuring scale of 1.0.

Properties	Conduritol A	Conduritol B tetraacetate	Conduritol C cis-epoxide	Conduritol D	Conduritol E tetranitro	GS4	Gymnemic acid I	Gymnemic acid II	Gymnemoside A	Gymnemoside B
Absorption
Blood brain barrier	0.5000	0.9473	0.5337	0.5000	0.8859	0.5951	0.5396	0.5145	0.5396	0.5000
Human intestinal absorption	0.9305	0.9899	0.6488	0.9305	0.9691	0.9375	0.5405	0.6906	0.5405	0.5133
Caco-2 permeability	0.5225	0.5742	0.6220	0.5225	0.5443	0.8205	0.9223	0.8955	0.9223	0.9040
Distribution
Blood brain distribution ()	−0.03	−0.01	−0.04	−0.03	0.33	−2.0	−0.48	−2	−0.46	−0.48
Fraction unbound in plasma	0.99	0.6	0.99	0.99	0.11	1	0.48	0.56	0.46	0.48
Volume of distribution () (L/kg)	0.72	1.12	0.67	0.72	1.43	0.49	0.25	0.25	0.25	0.25
Metabolism
CYP450 2C9 substrate	0.8335	0.8268	0.8081	0.8335	0.8564	0.8169	0.8585	0.8541	0.8585	0.8582
CYP450 2C9 inhibitor	0.8562	0.9772	0.9286	0.8562	0.7918	0.8666	0.8443	0.8549	0.8443	0.8346
Toxicity
Mutagenicity	Yes	No	No	No	No	No	No	No	No	No
Tumorigenicity	No	No	No	Yes	No	No	No	No	No	No
Irritating effects	No	No	Yes	No	No	No	No	No	No	No
Reproductive effects	No	Yes	No	No	No	No	No	No	No	No