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Research Article
Usama Ramadan Abdelmohsen
Minia University
Corresponding Author
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Sargassum is a brown algal genus inhabiting tropical region. Metabolomic profiling of Sarragassum cinnerum “Sargassaceae”, dereplicated eleven compounds 1-11, further phytochemical investigation afforded two new aryl cresol 12-13, along with eight known compounds 14-21. Both new metabolites along with 19 showed moderate in vitro antiproliferative activity against HEPG2, MCF7, and CACO2. Molecular targets of the bioactive compounds using a pharmacophore-based virtual screening, predicts 5-LOX and 15-LOX as the most probable target linked to their observed antiproliferative activity. The validation step revealed 12 and 13 inhibited 5-LOX more prudentially than 15-LOX, while 19 showed a convergent inhibitory activity toward both enzymes. Further in-depth in silico analysis revealed the molecular interactions inside both enzymes active sites and explained the varying inhibitory activity for 12, and 13 toward 5-LOX and 15-LOX. Taken together, unique metabolites in S. cinnerum had potential anticancer activity supported with in-silico investigations to facility drug discovery and development processes.
Keywords
Sarragassum cinnerum, metabolic profiling, aryl cresols, docking, 5- LOX, 15-LOX, virtual screening, in silico
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A new preprint design is coming!
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This is a preprint, a preliminary version of a manuscript that has not completed peer review at a journal. Research Square does not conduct peer review prior to posting preprints. The posting of a preprint on this server should not be interpreted as an endorsement of its validity or suitability for dissemination as established information or for guiding clinical practice.
Research Article
Usama Ramadan Abdelmohsen
Minia University
Corresponding Author
Badges
Prescreen
This manuscript passed our Prescreen assessment
Complete author information
Appropriate declaration statements
Potential risks to human health
Prescreen
History
CURRENT STATUS: Posted
Version 1
Posted 28 Jan, 2021
No community comments so far
Metrics
Comments: 0
PDF Downloads: ...
HTML Views: ...
License:
This work is licensed under a CC BY 4.0 License. Read Full License
Sargassum is a brown algal genus inhabiting tropical region. Metabolomic profiling of Sarragassum cinnerum “Sargassaceae”, dereplicated eleven compounds 1-11, further phytochemical investigation afforded two new aryl cresol 12-13, along with eight known compounds 14-21. Both new metabolites along with 19 showed moderate in vitro antiproliferative activity against HEPG2, MCF7, and CACO2. Molecular targets of the bioactive compounds using a pharmacophore-based virtual screening, predicts 5-LOX and 15-LOX as the most probable target linked to their observed antiproliferative activity. The validation step revealed 12 and 13 inhibited 5-LOX more prudentially than 15-LOX, while 19 showed a convergent inhibitory activity toward both enzymes. Further in-depth in silico analysis revealed the molecular interactions inside both enzymes active sites and explained the varying inhibitory activity for 12, and 13 toward 5-LOX and 15-LOX. Taken together, unique metabolites in S. cinnerum had potential anticancer activity supported with in-silico investigations to facility drug discovery and development processes.
Figure 1
Figure 2
Figure 3
Figure 4
Figure 5
Figure 6
Figure 7
No competing interests reported.
This is a list of supplementary files associated with this preprint. Click to download.
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