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Abstract Title:

Computational study of pomegranate peel extract polyphenols as potential inhibitors of SARS-CoV-2 virus internalization.

Abstract Source:

Mol Cell Biochem. 2020 Nov 16. Epub 2020 Nov 16. PMID: 33200379

Abstract Author(s):

Relja Suručić, Biljana Tubić, Miloš P Stojiljković, Dragan M Djuric, Maja Travar, Milkica Grabež, Katarina Šavikin, Ranko Škrbić

Article Affiliation:

Relja Suručić

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.

Study Type : In Vitro Study

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