Research Article

Chemical Composition and In Vitro and In Silico Biological Activities of Myrciaria tenella (DC.) O.Berg (Myrtaceae) Essential Oil from Brazil

Table 2

Binding energy values () of the drug-receptor systems.

Compounds

(E)-Caryophyllene−5.41−9.655.45−3.76−13.37
δ−Cadinene−7.86−6.273.43−4.11−14.81
Caryophyllene oxide−5.98−8.326.26−6.72−14.76
Viridiflorene−6.57−5.153.13−4.23−12.82

, van der Waals contributions; , electrostatic energy; , polar solvation free energy; , nonpolar solvation free energy. All values are in kcal/mol.