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. 2024 Dec 19;5(1):vbae205. doi: 10.1093/bioadv/vbae205

Table 2.

Docking scores of terpenoids against DPP-4.

S/N Compounds Class Dockingscore (Kcal/mol) PostDocking MM-GBSA (Kcal/mol)
S1 Alogliptin −7.7 −37.02
T1 Cucurbitacin B Tetracyclic triterpenoids −9.9 −47.80
T2 20-Epi-isoiguesterinol Bisnortriterpenoids −9.9 −29.78
T3 Isoiguesterin Bisnortriterpenoids −9.7 −28.75
T4 6-Oxoisoiguesterin Bisnortriterpenoids −9.3 −32.90
T6 Isoiguesterinol Bisnortriterpenoids −9.0 −29.36
T7 1-Deacetylkhivorin Limonoids −8.9 −19.72
T8 7-Deacetylkhivorin Limonoids −8.8 −25.71