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Essential oils from Conamomum rubidum: The phytochemical, microbiological, and molecular docking study

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Title Essential oils from Conamomum rubidum: The phytochemical,
microbiological, and molecular docking study
 
Creator Tung, Nguyen Thanh
Tiep, Nguyen Khac
Ha, Do Thu
Quy, Duong Quang
Binh, Nguyen Quoc
Hai, Pham The
Koshovyi, Oleh
Raal, Ain
 
Subject Antimicrobial activity
Candida albicans
Conamomum rubidum
Essential oil
Molecular docking
Staphylococcus aureus
 
Description 391-401
This study explored the interaction of major components in essential oils from aerial parts and rhizomes of
Conamomum rubidum (Lamxay & N.S.Lý) Škorničk. & A.D. Poulsen (Zingiberaceae) collected in Hongiao National Park
(Lamdong province, Vietnam) to the relevant targets of microtubes. Δ-3-Carene (33.14% and 20.15%), β-phellandrene
(14.63% and 25.61%), and 1,8-cineole (17.14 and 3.26%) were three major components in essential oils from aerial parts
and rhizome of C. rubidum, respectively. The aerial parts oil possessed fungicidal activity against Candida albicans (MIC =
MFC = 0.4%) and rhizome oil bactericidal activity against Staphylococcus aureus (MIC = MBC = 0.8%). A molecular
docking study was performed with antimicrobial targets of S. aureus (2W9S, 1HSK, 2ZCQ) and C. albicans (3PVK, 5V5Z,
1IYL). Among the three components, β-phellandrene has the best affinity to the relevant targets of S. aureus, while Δ-3-care
and 1,8-cineole exhibited good binding energy to the targets of C. albicans compared to β-phellandrene. Along with the in
vitro activity test, the docking study demonstrated that β-phellandrene kept an important role in the ability to inhibit S.
aureus. At the same time, Δ-3-carene and 1,8-cineole played a significant part in the capacity to inhibit C. albicans. By the
ADMET calculations, Δ-3-carene, β-phellandrene, and 1,8-cineole can potentially be used as antimicrobial agents.
 
Date 2024-09-26T11:13:07Z
2024-09-26T11:13:07Z
2024-09
 
Type Article
 
Identifier 0976-0512 (Online); 0976-0504 (Print)
http://nopr.niscpr.res.in/handle/123456789/64619
https://doi.org/10.56042/ijnpr.v15i3.8431
 
Language en
 
Relation Int. cl. (2021.01)− A61K 36/00, A61K 36/906, A61P
 
Publisher NIScPR-CSIR,India
 
Source IJNPR Vol.15(3) [September 2024]