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. 2021 Jun 4;2021:6679185. doi: 10.1155/2021/6679185

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