Carotane sesquiterpenes from Ferula vesceritensis: in silico analysis as SARS-CoV-2 binding inhibitors

  title={Carotane sesquiterpenes from Ferula vesceritensis: in silico analysis as SARS-CoV-2 binding inhibitors},
  author={Tarik A. Mohamed and Abdelsamed I. Elshamy and Mahmoud A. A. Ibrahim and Ammar Zellagui and Mahmoud F. Moustafa and Alaa H. M. Abdelrahman and Shinji Ohta and Paul W. Pare and Mohamed-Elamir F Hegazy},
  journal={RSC Advances},
Two sesquiterpenes, 8α-anisate-dauc-4-ene-3,9-dione (webiol anisate) (1) and 10α-acetoxy-6α-benzoate-jaeschkeanadiol (2) as well as, ten known analogues (3–10), and two sesquiterpene coumarins (11–12) were isolated from an organic root extract of Ferula vesceritensis (Fam. Apiaceae). Chemical structures were elucidated based on IR, 1D- and 2D-NMR and HRMS, spectroscopic analyses. With molecular overlap observed between two protease inhibitors that are being examined as anti-COVID-19 drugs, and… Expand
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Two of the compounds, the sesquiterpene coumarins farnesiferol A and feselol, bound to the model recombinant nucleotide-binding site of an MDR-like efflux pump from the enteropathogenic protozoan Cryptosporidium parvum. Expand
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Six new sesquiterpene coumarin derivatives were isolated from a 80% aqueous methanol extract of the roots of Ferula fukanensis and inhibited nitric oxide (NO) production and inducible NO synthase (iNOS) gene expression by a murine macrophage-like cell line. Expand
A crystal lapiferin derived from Ferula vesceritensis induces apoptosis pathway in MCF-7 breast cancer cells
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The results of the present investigation indicated that diversin might be valuable as a potent cancer chemopreventive agent and its potency was comparable with those of curcumin and quercetin, two well-known cancer chemoplastic agents. Expand
Natural daucane sesquiterpenes with antiproliferative and proapoptotic activity against human tumor cells.
The pro-apoptotic effect of the most active compounds evaluated in Jurkat cell line showed that these compounds are able to induce apoptosis in a time and concentration-dependent manner and suggest the potential role of daucane derivatives as models for the development of proAPoptotic compounds. Expand
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Seventeen daucane sesquiterpenoid esters, including a new one (4), were isolated from the root of Ferula hermonis Boiss. The structures of the isolated compounds were elucidated on the basis ofExpand
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The analysis of the essential oil from rhizome and roots of Ferula hermonis Boiss showed strong antifungal activities for JB73 and 3,5-nonadiyne, the former being more active than amphotericin B and nystatin. Expand
Daucane sesquiterpenes from Ferula hermonis.
The dried roots of Ferula hermonis yielded three new daucanes, and the effect of these compounds on the proliferation of estrogen-dependent MCF-7 cells was evaluated, and it was found that compounds 1 and 3 exhibited proliferative activity, whereas 2 showed an antiproliferative effect. Expand
The genus Ferula: ethnobotany, phytochemistry and bioactivities - a review
A large number of new secondary metabolites, belonging to different classes of natural products possessing interesting biological activities, from the antiproliferative to the anti-inflammatory to the neuroprotective ones, among the others, have been recently found in the Ferula genus. Expand