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. 2023 May 5;8(19):16630–16646. doi: 10.1021/acsomega.2c07361

Table 3. Details of the Selected Lead-like Molecules and Orlistat in Descending Order of Their Binding Affinity Scores (in kcal/mol) Confirmed Through Docking Analysis.

S. no PubChem CID Binding affinity (in kcal/mol)
1 15515703 (Jujubogenin) –9.0
2 51029223 (Amphibine H) –8.5
3 44258335 (Spinosin-6111-(E)-P-coumarate) –8.5
4 5373023 (Mucronine D) –8.3
5 21597353 (6111-feruloylspinosin) –8.1
6 5273923 (Ziziphine N) –7.7
7 Orlistat –5.7