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

@article{Mohamed2020CarotaneSF,
  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},
  year={2020},
  volume={10},
  pages={34541-34548}
}
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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References

SHOWING 1-10 OF 50 REFERENCES
Sesquiterpenes from aerial parts of Ferula vesceritensis.
TLDR
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
Antiprotozoal and Antiglycation Activities of Sesquiterpene Coumarins from Ferula narthex Exudate
TLDR
The exudate of Ferula narthex Boiss, widely used in the Indian subcontinent as a spice and because of its health effects, showed antimicrobial and antiglycation activities based on its use in infectious and diabetic conditions. Expand
Sesquiterpene coumarins from Ferula fukanensis and nitric oxide production inhibitory effects.
TLDR
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
TLDR
It is reported for the first time that lapiferin evokes multiple consequences that trigger apoptotic cell death, involving the enhancement of DNA fragmentation, the activation of caspases and the induction of histone acetylation in MCF-7 cells. Expand
Cancer chemopreventive activity of diversin from Ferula diversivittata in vitro and in vivo.
TLDR
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.
TLDR
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
Antimicrobial Antioxidant Daucane Sesquiterpenes from Ferula hermonis Boiss
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
Composition and antifungal activity of the essential oil from the rhizome and roots of Ferula hermonis.
TLDR
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.
TLDR
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
TLDR
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
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