Table 4.

Top ten docking results for UDP-N-acetylglucosamine 1-carboxyvinyltransferase

No.	Screened compounds (Drug Bank Id)	Binding Energy (kcal/mol)	Active site residues involved in interactions	Molecular weight (g/mol)
1	DB04118	−11.2	Glu 190, Trp 95, Asn 23, Ala 165, Glu 188, Gly 164, Ser 162, His 125, His 299, Val 163, Pro 298, Val 161, Phe 328, Val 327, Glu 329, Arg 120, Arg 91, Arg 232	491.5372
2	DB02033	−10.9	His 125, Arg 120, Ala 92, Arg 91, Phe 328, Leu 26, Pro 121, Lys 22, Thr 304, Asp 305, Val 163, Asn 23, Gly 164, Val 327, Trp 95, Ser 162	479.588
3	DB01061	−10.8	Pro 121, Leu 124, Val 327, Phe 328, Pro 298, His 299, Glu 188, Asp 305, Arg 232, Thr 304, Asn 23, Val 163, Gly 164, Val 161, Ser 162, Ala 165, Arg 120, Arg 91, His 125	461.492
4	DB08512	−10.8	Gly 398, Asp 49, Leu 370, Lys 22, Arg 371, Asn 23, Thr 304, Asp 305, Arg 232, Val 163, Pro 298, Glu 188, His 299, Val 327, Cys 115, Arg 120, Arg 91, Gly 114, Arg 397	356.3806
5	DB01459	−10.7	Leu 370, Asp 49, Arg 397, Lys 22, Arg 91, Phe 328, Val 327, Pro 298, Val 163, Ser 162, Val 161, Gly 164, Thr 304, Asp 305, Asn 23, Arg 120, Trp 95,Ala 92, Cys 115	492.6114
6	DB04030	−10.7	Val 327, Val 161, Pro 298, Ser 162, Val 163, His 125, Arg 91, Gly 164, Arg 120, Asn 23, Arg 232, Glu 190	398.4538
7	DB04064	−10.7	Val 163, Trp 95, Asn 23, Asp 305, Arg 232, Glu 188, Thr 305, Pro 303, His 299, Ala 297, Pro 298, Val 327, Arg 91, Phe 328, Arg 120, Ser 162, Gly 164	378.3317
8	DB04685	−10.7	Asp 49, Met 90, Arg 91, Arg 397, Ile 117, Gly 114, Cys 115, Trp 95, His 125, Ser 162, Gly 164, Val 163, Thr 304, Val 327, Asp 305, Asn 23, Arg 120, Phe 328, Lys 22, Leu 26, Ala 92	472.5075
9	DB06922	−10.7	Asn 23, His 125, Arg 91, Ala 165, Gly 164, Arg 120, Ala 119, Glu 329, Val 327, Phe 328, Val 163, Ser 162	389.3576
10	DB07241	−10.7	His 125, Arg 91, Lys 160, Arg 120, Ser 162, Val 327, Val 161, Val 163, Pro 298, Glu 188, His 299, Gly 164	355.3462

Lowest docking energies, important residues of the binding site observed to be interactive with the ligands from DrugBank