2020
DOI: 10.1002/slct.202000822
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Evaluation of the Inhibitory Activities of COVID‐19 of Melaleuca cajuputi Oil Using Docking Simulation

Abstract: GC-MS was applied to identify 24 main substances in Melaleuca cajuputi essential oil (TA) extracted from fresh cajeput leaves through steam distilling. The inhibitory capability of active compounds in the TA from Thua Thien Hue, Vietnam over the Angiotensin-Converting Enzyme 2 (ACE2) protein in human body -the host receptor for SARS-CoV-2 and the main protease (PDB6LU7) of the SARS-CoV-2 using docking simulation has been studied herein. The results indicate that the ACE2 and PDB6LU7 proteins were strongly inhi… Show more

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Cited by 44 publications
(32 citation statements)
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References 23 publications
(14 reference statements)
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“…The identified components represented 93.1–99.3 % of the total detected areas under the GC peaks. Speaking in terms of the previous studies of their chemical composition, all of the essential oils displayed typical chemical profiles for the plant species, i. e., they corresponded well to those published: C. bergamia , [11,12] C. sempervirens , [13,14] C. winterianus , [15,16] E. globulus , [17,18] E. smithii , [19,20] M. cajuputi , [21,22] M. piperita , [23,24] M. fragrans , [25,26] M. communis , [27,28] P. mugo , [29,30] P. niger , [31,32] P. sylvestris , [33,34] and R. officinalis [35] . The majority of the major components were oxygenated monoterpenes with demonstrated antimicrobial effect, known to contribute favorably to the aroma of a mouthwash, such as 1,8‐cineole, menthol, linalool and related derivatives [36] .…”
Section: Resultssupporting
confidence: 72%
“…The identified components represented 93.1–99.3 % of the total detected areas under the GC peaks. Speaking in terms of the previous studies of their chemical composition, all of the essential oils displayed typical chemical profiles for the plant species, i. e., they corresponded well to those published: C. bergamia , [11,12] C. sempervirens , [13,14] C. winterianus , [15,16] E. globulus , [17,18] E. smithii , [19,20] M. cajuputi , [21,22] M. piperita , [23,24] M. fragrans , [25,26] M. communis , [27,28] P. mugo , [29,30] P. niger , [31,32] P. sylvestris , [33,34] and R. officinalis [35] . The majority of the major components were oxygenated monoterpenes with demonstrated antimicrobial effect, known to contribute favorably to the aroma of a mouthwash, such as 1,8‐cineole, menthol, linalool and related derivatives [36] .…”
Section: Resultssupporting
confidence: 72%
“…1,8-Cineole is abundantly present in eucalyptus plants and is an effective treatment for pediculosis [ 15 ], as well as an efficient biological herbicide [ 16 ], antimicrobial, and antioxidant [ 17 ]. Recently, several essential oil-derived components, such as 1,8-cineole, have been reported to inhibit influenza symptoms [ 18 ] and severity of coronavirus disease 2019 (COVID-19) [ 19 , 20 , 21 ]. Furthermore, some researchers are also investigating using 1,8-cineole as a new treatment for COVID-19 symptoms [ 22 , 23 ].…”
Section: Discussionmentioning
confidence: 99%
“…In-silico studies were also performed on natural compounds that are readily available in onion, garlic, ginger, peppermint, and fenugreek [ 149 , 150 ]. The computational results pointed out leucopelargonidin and aronadendin are promising Mpro inhibitors, while 5S-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-3-heptanone , contained in Ginger, interacted with the SARS-CoV-2 Spike protein [ 111 , 132 ].…”
Section: Resultsmentioning
confidence: 99%