Lignans isolated from stems of Sambucus williamsii and their proliferation effects on UMR106 cells

Xu, Meng; Duan, Ying; Xi, Hui; Dai, Yi; Wang, Zhen Zhong; Wong, Man Sau; Yao, Xin; Xiao, Wei

doi:10.4268/cjcmm20141418

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Molecular Docking1

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2021

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“…Eleven of the 17 natural products from the Philippines were isolated from plants, 1 from bacteria, 1 from fungi, and 4 were obtained from marine organisms. The top 4 hits, namely, (E)-3-Acetyl-4-(3,7-dimethylocta-2,6dienyloxy)-2,6-dihydroxybenzoic acid [50], (-)-5-methoxybalnophonin [51], 3′-formyl-2′,4′,6′trihydroxy-5′-methyldihydrochalcone [52], and bruceantin [53] originated from plants species.…”

Section: Molecular Dockingmentioning

confidence: 99%

<i>In Silico</i> Discovery of Natural Products Against Dengue RNA-Dependent RNA Polymerase Drug Target

Billones

Clavio

2021

CBIJ

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The viral infection caused by the dengue virus (DENV) is one of the most challenging diseases in the tropical regions of the world. The absence of drugs for dengue to this date calls for intense efforts to discover and develop the much coveted therapeutics for this mosquito-borne disease. One of the most attractive antiviral targets is the DENV RNAdependent RNA polymerase (RdRp), which catalyzes the de novo initiation as well as elongation of the flavivirus RNA genome. In this work, almost 5000 natural products were docked to DENV RdRp. The top 197 molecules with greater binding energies than the known ligand of the target were further clustered down to furnish 35 classes of molecular structures. These compounds with satisfactory predicted drug properties and with known natural origin can be further explored to pave the way for the first anti-dengue drug.

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