Table 1. Top 10 ligands with their docking scores and interactions analysis of ligands and the lipase enzyme (PDB id: 1LPB).

No Compound Structure Docking Score (kcal/mol) Hydrogen Bond π-π interactions
1 T98 -10.1 Ser152 Tyr114
2 T95 -10.1 Ser152Phe77 Tyr114
3 T82 -10.1 Ser152Phe215 Tyr114
4 T80 -9.9 Ser152Phe255
5 T43 -9.9 Ser152Arg256His 263
6 T77 -9.8 Ser152Phe77
7 T44 -9.8 Ser152Asp 79
8 T86 -9.7 Ser152 Tyr114
9 T79 -9.7 Ser152Phe77
10 T57 -9.7 Ser152His263