Molecular docking of a bioactive compound of C. sinensis n-heptadecanol-1 with opportunistic fungi

نویسندگان

چکیده

With the expansion of immune-impaired people during second wave Covid-19 case mucormycosis and aspergillosis caused by different fungi such as Rhizopus oryzae, Candida albicans Aspergillus niger arose in states. The current study reveals molecular interaction ligand protein to find novel natural drug. docking was carried out CB-dock tool compound n-heptadecanol-1 were docked with opportunistic fungi. most significant outcomes depicted against C. (?4.6 ?kcal/mol) followed R. oryzae (?3.9 A. (?3.0 ?kcal/mol). showed therapeutic potential eliminates issue drug inadequacy that could act anti-fungal agent.

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ژورنال

عنوان ژورنال: Current research in green and sustainable chemistry

سال: 2021

ISSN: ['2666-0865']

DOI: https://doi.org/10.1016/j.crgsc.2021.100208