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10.1002/slct.202000822

http://scihub22266oqcxt.onion/10.1002/slct.202000822
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32572383!7300966!32572383
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suck abstract from ncbi


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pmid32572383      ChemistrySelect 2020 ; 5 (21): 6312-6320
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  • Evaluation of the Inhibitory Activities of COVID-19 of Melaleuca cajuputi Oil Using Docking Simulation #MMPMID32572383
  • My TTA; Loan HTP; Hai NTT; Hieu LT; Hoa TT; Thuy BTP; Quang DT; Triet NT; Anh TTV; Dieu NTX; Trung NT; Hue NV; Tat PV; Tung VT; Nhung NTA
  • ChemistrySelect 2020[Jun]; 5 (21): 6312-6320 PMID32572383show ga
  • 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 inhibited by 10 out of 24 compounds accounting for 70.9% in the TA. The most powerful anticoronavirus activity is expressed in the order: Terpineol (TA2) approximately Guaiol (TA5) approximately Linalool (TA19) > Cineol (TA1) > beta-Selinenol (TA3) > alpha-Eudesmol (TA4) > gamma-Eudesmol (TA7). Interestingly, the synergistic interactions of these 10 substances of the TA exhibit excellent inhibition into the ACE2 and PDB6LU7 proteins. The docking results orient that the natural Melaleuca cajuputi essential oil is considered as a valuable resource for preventing SARS-CoV-2 invasion into human body.
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