Thesis
Investigation on the potential inhibitory activity of Foeniculum vulgare Seed Extract towards recombinant SARS-CoV-2 3CL
The CoronaVirus Disease 2019 (COVID-19) caused by SARS-CoV-2 continues to be a global pandemic
with substantial socioeconomic damages. Exploration of bioactive compounds from herbal resources
with potential anti SARS-CoV-2 effects are currently on the rise. In particular, naturally-derived
flavonoids are reported for its capability to inhibit 3-chymotrypsin like-protease (3CL
), a promising
drug target that is essential for SARS-CoV-2 replication and formation. In this paper, the flavonoid
compounds in Foeniculum vulgare semen (Fennel seed) ethanolic crude extract are identified using
UPLC-ESI-MS/MS, followed by binding affinity prediction of the identified flavonoid compounds
toward SARS-CoV-2 3CL
pro
crystal structure through in silico approaches, before ultimately assessing
the inhibition level of the extract towards recombinant SARS-CoV-2 3CL
pro
in vitro. The results
indicated that F. vulgare seed extract contains the flavonol class of flavonoids, specifically quercetin,
kaempferol, and its glycosylated moieties which are well documented by previous studies to exert
SARS-CoV-2 3CL
pro
inhibitory effects. Molecular docking analysis revealed strong binding affinity
values of
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