Chemical Group Profiling, In Vitro and In Silico Evaluation of Aristolochia ringens on α-Amylase and α-Glucosidase Activity

Table 2

Docking properties of bioactive compounds from A. ringens extract against α-amylase and α-glucosidase.

S/N	Ligand molecules	α-Amylase		α-Glucosidase
		Scores (kcal/mol)	Amino acids involved in the interaction	Scores (kcal/mol)	Amino acids involved in the interaction
1	Asiatic acid	−7.5	Trp 58, Trp 59, Ala 198, Val 163, Leu 162, His 101,	−8.0	Ala 218, Gly 216, Gln 215, Ile 214, Gly 224, Trp 226, Pro 211, Glu 227
2	Magnoflorine	−7.3	Gln 63, Trp 59	−8.2	Pro 116, Try 113, Tyr 563, Thr573, Pro 515, Tyr 57
3	Phenyl-β-d-glucopyranoside	−4.6	Pro 4, Phe 335, Pro 332, Gly 403, Asp 402, Arg 398, Arg 421	−5.0	Phe 852, Pro 597, Ala 381, Thr385
4	Aristolochic acid I	−5.9	Gln 63, Val 163, Trp 59	−7.1	Leu 388, Ala387, Arg 610
5	Corosolic acid	−2.5	Val 163, Leu 165, Leu 162, Ala 198, Ile 235, Tyr 151, Glu 233, Ala 198	−8.2	Arg 478, Trp 441, Pro 449
6	Dianoside G	−12.4	Gly 304, Val 354, Asp 306, Asp 300, Trp 357, Trp 59, Tyr 62	−12.5	Asp 429, Trp 503, Asp 542, Met 543, Arg 602, Phe 549, Asp 618, Asp 283, Phe 28
7	Neoasarinin A	−6.3	Pro 4, Arg 10, Arg 252, Asp 290, Phe 335, Ser 289, Gly 403, Asp 402, Gln 404, Arg 421	−7.0	His 676, Asp 29, Trp 401, Arg 602, Asp 613, Met 543, Trp 503, Phe 549
8	Quercetin 3-(3-p-coumaroylglucoside	−7.0	Arg 252, Asp 290, Ala 3, Pro 4, Pro 332, Pro 405, Gln 404, Asp 402, Arg 421, Arg 398	−7.2	Thr22, Gly 227, Arg 185, Lys 191, Trp 26, Gly 234
9	Quercetin 3-O-glucuronide	−7.0	Arg 252, Gly 334, Phe 335, Pro 332, Gly 403, Asp 402, Arg 398, Arg 421	−8.9	Pro 223, Ala 218
10	Strictosidine	−5.5	Asp 402, Gln 404, Arg 421, Pro 405, Phe 406, Arg 398, Pro 332, Phe 335, Gly 334, Arg 252	−8.5	His 678, Trp 401, Lys 436, Arg 602, Asp 542, Trp 503, Phe 549
11	Trilobine	−10.0	Trp 58, Trp 59, Asp 300, Leu 162, Ala 198, Ile 235, His 201	−10.0	Pro 211, Ala 218, Trp 26, Lys 191
12	Acarbose	−7.8	Arg 421, Asp 402, Lys 278, Trp 280, Glu 282, Ser 289, Pro 4	−7.4	Glu 222, Glu 42, Pro 223, Gln 215, Gly 214, Glu 218, Glu 228, Glu 227, thr 229