Computational study of pomegranate peel extract polyphenols as potential inhibitors of SARS-CoV-2 virus internalization.
Mol Cell Biochem
; 476(2): 1179-1193, 2021 Feb.
Article
in English
| MEDLINE | ID: covidwho-927669
ABSTRACT
The search for effective coronavirus disease (COVID-19) therapy has attracted a great deal of scientific interest due to its unprecedented health care system overload worldwide. We have carried out a study to investigate the in silico effects of the most abundant pomegranate peel extract constituents on the multi-step process of serious acute respiratory syndrome coronavirus 2 (SARS-CoV-2) internalization in the host cells. Binding affinities and interactions of ellagic acid, gallic acid, punicalagin and punicalin were studied on four selected protein targets with a significant and confirmed role in the process of the entry of virus into a host cell. The protein targets used in this study were SARS-CoV-2 spike glycoprotein, angiotensin-converting enzyme 2, furin and transmembrane serine protease 2. The results showed that the constituents of pomegranate peel extracts, namely punicalagin and punicalin had very promising potential for significant interactions with the selected protein targets and were therefore deemed good candidates for further in vitro and in vivo evaluation.
Keywords
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
Plant Extracts
/
Polyphenols
/
Pomegranate
/
COVID-19 Drug Treatment
Type of study:
Experimental Studies
Limits:
Humans
Language:
English
Journal:
Mol Cell Biochem
Year:
2021
Document Type:
Article
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