Table 4.

Essential oil sesquiterpenes and monoterpenes with the lowest binding free energy for DENV-2 E protein.

No	Compound	Kcal/mol	Structural Formula	Amino Acid Residues. H-bond in Bold Font
1	cis-Calamenene	−8.73		Thr189, Leu19, Phe193, Leu167, Phe279.
2	δ-Cadinene	−8.41		Leu45, Thr48, Leu135, Tyr137, Thr189, Leu191, Phe193, Phe279, Leu283.
3	α-Cadinene	−8.28		Leu45, Thr48, Leu135, Tyr137, Leu191, Phe193, Phe279, Leu283.
4	α-Guaiene	−8.26		Glu26, Leu45, Thr48, Tyr137, Leu191, Phe193, Phe279, Leu283.
5	γ-Cadinene	−8.19		Leu45, Thr48, Leu135, Tyr137, Leu191, Phe193, Ohe279, Leu283.
6	Viridiflorene	−8.13		Thr48, Leu135, Tyr137, Thr189, Leu191, Phe193, Leu207, Phe279, Leu283.
7	α-Selinene	−7.98		Thr48, Leu135, Thr189, Leu191, Phe193, Phe193, Phe279, Leu283.
8	δ-Amorphene	−7.96		Leu45. Thr48, Leu135, Tyr137, Leu191, Phe193, Phe279, Leu283.
9	β-Bourbonene	−7.95		Thr48, Val130, Leu135, Tyr137, Leu191, Phe193, Leu207, Phe279, Leu283.
10	α-Gurjunene	−7.83		Thr48, Val130, Leu135, Tyr137, Thr189, Leu191, Phe193, Leu207, Phe279.
11	α-Phellandrene	−7.60		Thr48, Leu135, Tyr137, Thr189, Phe193, Phe279, Leu283
12	Carvacrol	−7.31		Thr189, Leu191, Leu207, Phe279, Leu283, His282
13	Carvone	−7.29		Thr48, Thr189, Leu191, Phe193, Leu207, Phe279.
14	γ-Terpinene	−7.28		Thr48, Val130, Leu191, Leu207, Phe279, Leu283.
15	p-Cymene	−7.27		Thr48, Val130, Leu191, Leu207, Phe279, Leu283.
16	Limonene	−7.24		Thr48, Leu135, Phe193, Phe279, Leu283.
17	trans-Dihydrocarvone	−7.23		His27, Thr48, Leu191, Phe193, Leu207, Phe279.
18	Thymol-methyl-ether	−7.11		Leu191, Phe193, Leu207, Phe279.
19	α-Terpinene	−7.10		Thr48, Val130, Leu191, Phe279, Leu283.
20	Terpinolene	−7.03		Thr48, Leu135, Thr189, Phe193, Leu207, Leu277, Phe279.