Comparative chemical and antimicrobial evaluation of the essential oils from Callistemon and podocarpus species supported by in-silico molecular simulations against bacterial LacY protease

Ezzat, Heba A. M.; Younis, Nermin A.; Zafer, Mai M.; Kamal, Amel M.; Abdelhady, Mohamed I. S.; Mady, Mohamed S.

doi:10.1186/s12906-025-04826-w

BMC Complementary Medicine and Therapies

Table 1 Percent concentration (%) of the volatile content estimated in the EOs of C. subulata and C. rigidus aerial parts extracted using hydro distillation (HD), and headspace solid-phase micro-sampling

From: Comparative chemical and antimicrobial evaluation of the essential oils from Callistemon and podocarpus species supported by in-silico molecular simulations against bacterial LacY protease

No	Identified Compounds	MF	M. wt	RI_exp	RI _lit	C. subulatus		C. rigidus
No	Identified Compounds	MF	M. wt	RI_exp	RI _lit	HD Area%	HS Area%	HD Area%	HS Area%
1	α-Thujene	C₁₀H₁₆	136	909	909	1.50	2.06		0.06
2	α-Pinene	C₁₀H₁₆	136	918	918	22.42	27.96	3.64	0.86
3	Sabinen	C₁₀H₁₆	136	967	966			0.43	0.36
4	β-Pinene	C₁₀H₁₆	136	971	980	1.25	0.64	1.70	0.50
5	β-Myrcene	C₁₀H₁₆	136	989	987	0.73		2.65	1.14
6	Pseudolimonene	C₁₀H₁₆	136	1000	1000			0.34
7	α -Phyllandrene	C₁₀H₁₆	136	1002	1001	7.61	3.84
8	α -Terpinene	C₁₀H₁₆	136	1049	1049	0.29		0.65	0.09
9	Cymene	C₁₀H₁₄	134	1017	1015	5.56	4.46	1.37	0.15
10	Eucalyptol	C₁₀H₁₈O	154	1026	1022	38.29	59.53	69.93	93.32
11	trans- β -Ocimene	C₁₀H₁₆	136	1033	1033	0.73
12	γ-Terpinene	C₁₀H₁₆	136	1055	1049	1.19	0.66	0.66	0.26
13	α -Terpinoline	C₁₀H₁₆	136	1084	1084	0.77	0.32
14	Linalool	C₁₀H₁₈O	154	1091	1090	1.34	0.53	2.80	1.72
15	Pinocarveol	C₁₀H₁₆O	152	11,225	1130	0.45
16	Borneol	C₁₀H₁₈O	154	1152	1151	0.36
17	α-Terpineol	C₁₀H₁₈O	154	1176	1183	7.00		9.24	1
18	Geraniol	C₁₀H₁₈O	154	1241	1241	0.30		0.39
19	Eugenol	C₁₀H₁₂O₂	164	1333	1333	0.25
20	Cinerolon	C₁₀H₁₂O₂	164	1496	1496	0.62
21	Geranyl acetate	C₁₂H₂₀O₂	196	1366	1366	0.33
22	Spathulenol	C₁₅H₂₄O	220	1562	1562	0.22
23	Viridiflorol	C₁₅H₂₆O	222	1567	1567	0.96
24	Globulol	C₁₅H₂₆O	222	1571	1571			1.17
25	Rosifoliol	C₁₅H₂₆O	222	1607	1607	0.52		0.34
Monoterpene hydrocarbons						41.28	39.62	11.44	3.42
Oxygenated Monoterpene						51	60.38	82.68	96.04
Sesquiterpene hydrocarbons
Oxygenated Sesquiterpene						1.70		1.51
Others						4.65		4.37	0.54
Total identified						98.63	100	100	100
Unidentified						1.37

MF Molecular formula, M. wt. Molecular weight, BP Base peak, RI_Exp experimental refractive index, RI_Lit reference refractive index

Back to article page

ISSN: 2662-7671

Contact us

General enquiries: journalsubmissions@springernature.com