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. 2023 Jul 28;13:12224. doi: 10.1038/s41598-023-38652-2

Table 6.

Binding energies (MMGBSA) of the complexes of matrix protein of RSV and the four selected bacterial proteins with curcumin.

Bacterial Binding energy MMGBSA (kcal/mol)
Proteins dg bind dg bind coulomb dg bind covalent dg bind H bond dg bind lipo dg bind solv gb dg bind vdw
AgrA − 41.1089 − 16.6193 2.415116 − 0.23531 − 13.2987 25.31413 − 38.6849
LsrR − 26.84773396 − 12.8583 2.317894 − 1.25244 − 9.48339 23.67852013 − 29.2500197
SecA-SecY − 59.26700736 − 28.6251 3.584246 − 3.60657 − 14.3359 31.431 − 47.7147
PqsR (MvfR) − 54.8943 − 8.97489 3.327278 − 0.49142 − 19.8054 24.15725 − 53.1071

Dg; delta g. SecA-SecY from B. subtilis, LsrR from E. coli, PqsR (MvfR) from P. aeruginosa, and AgrA from S. aureus.