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Anti-methanogenic effect of rhubarb (Rheum spp.) : an in silico docking studies on methyl-coenzyme m reductase (MCR)
Joint Authors
Arokiyaraj, Selvaraj
Stalin, Antony
Shin, Hakdong
Source
Saudi Journal of Biological Sciences
Issue
Vol. 26, Issue 7 (30 Nov. 2019), pp.1458-1462, 5 p.
Publisher
Publication Date
2019-11-30
Country of Publication
Saudi Arabia
No. of Pages
5
Main Subjects
Topics
Abstract EN
The present study explored anti-methanogenic properties of rhubarb compounds using in silico analysis on methyl-coenzyme M reductase (MCR) for identifying its anti-methanogen mechanism.
To identify pharmacokinetics of 35 compounds from rhubarb, molecular docking and ADME analysis were performed against MCR using AutoDockVina, FAFDrugs3 and PROTOX programs.
Docking results successfully indicated three possible candidate compounds 9,10-anthracenedione, 1,8-dihydroxy-3-methyl (−6.92 kcal/mol); phthalic acid isobutyl octadecyl ester (−5.26 kcal/mol); and diisooctyl phthalate (−5.61 kcal/mol) showed minimum binding energy (kcal/mol) with the target protein MCR which catalyze the biosynthesis of rumen methane.
In conclusion, the identified compounds showed the most docking fitness score against the target methyl-coenzyme M reductase and the decrease in ruminal methane emission by rhubarb might be a result of these compounds by inhibition of methanogenesis.
American Psychological Association (APA)
Arokiyaraj, Selvaraj& Stalin, Antony& Shin, Hakdong. 2019. Anti-methanogenic effect of rhubarb (Rheum spp.) : an in silico docking studies on methyl-coenzyme m reductase (MCR). Saudi Journal of Biological Sciences،Vol. 26, no. 7, pp.1458-1462.
https://search.emarefa.net/detail/BIM-910152
Modern Language Association (MLA)
Arokiyaraj, Selvaraj…[et al.]. Anti-methanogenic effect of rhubarb (Rheum spp.) : an in silico docking studies on methyl-coenzyme m reductase (MCR). Saudi Journal of Biological Sciences Vol. 26, no. 7 (Nov. 2019), pp.1458-1462.
https://search.emarefa.net/detail/BIM-910152
American Medical Association (AMA)
Arokiyaraj, Selvaraj& Stalin, Antony& Shin, Hakdong. Anti-methanogenic effect of rhubarb (Rheum spp.) : an in silico docking studies on methyl-coenzyme m reductase (MCR). Saudi Journal of Biological Sciences. 2019. Vol. 26, no. 7, pp.1458-1462.
https://search.emarefa.net/detail/BIM-910152
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 1461-1462
Record ID
BIM-910152