Table 6.

Docking of Alanine amino transferase with major compounds identified in UPLC-MS/MS and GC–MS analysis

S. No.	Comound name	ID	Binding energy	No. of hydrogen bonds involved in binding	Amino acids involved in bonding
1	Silibinin	CID31553	− 5.63	3	Glu 407 Asp 304 Ser 308
2	Quercetin-3-D-xyloside	CID5320863	− 4.36	4	Tyr302, Ser340, Asp94, Tyr302
3	Kaempferol-3,7-O-bis-alpha-L-rhamnoside	CID 5,323,562	− 4.87	4	Gln215, Tyr62, Ser220, Tyr62
4	Isorhamnetin-3-O-glucoside	CID5318645	− 4.10	Nil	Nil
5	Eriodictyol-7-O-glucoside	CID13254473	− 5.99	6	Gly342, Asn412
6	Vitexin-2''-O-rhamnoside	CID5282151	− 3.96	4	Gly345, Asn305, Asn94
7	Citronellol	CID8842	− 5.24	2	Arg312, Arg370
8	Phytol acetate	6,428,538	− 4.88	1	Asn412
9	Campestrol	173,183	− 8.67	2	Ser 308, Cys311
10	Squalene	638,072	− 5.69	Nil	Nil
11	Stigmasterol	5,280,794	− 8.98	2	Val 409, Asn412
12	Hexadecanoic acid		− 3.25	2	Asn412, Lys416