@article{
author = "Suručić, Relja and Radović-Selgrad, Jelena and Kundaković-Vasović, Tatjana and Lazović, Vesna and Travar, Maja and Suručić, Ljiljana and Škrbić, Ranko",
year = "2022",
abstract = "Since the outbreak of the COVID-19 pandemic, it has been obvious that virus infection poses
a serious threat to human health on a global scale. Certain plants, particularly those rich in polyphe-
nols, have been found to be effective antiviral agents. The effectiveness of Alchemilla viridiflora Rothm.
(Rosaceae) methanol extract to prevent contact between virus spike (S)-glycoprotein and angiotensin-
converting enzyme 2 (ACE2) and neuropilin-1 (NRP1) receptors was investigated. In vitro results
revealed that the tested samples inhibited 50% of virus-receptor binding interactions in doses of
0.18 and 0.22 mg/mL for NRP1 and ACE2, respectively. Molecular docking studies revealed that the
compounds from A. viridiflora ellagitannins class had a higher affinity for binding with S-glycoprotein
whilst flavonoid compounds more significantly interacted with the NRP1 receptor. Quercetin
3-(6”-ferulylglucoside) and pentagalloylglucose were two compounds with the highest exhibited
interfering potential for selected target receptors, with binding energies of −8.035 (S-glycoprotein)
and −7.685 kcal/mol (NRP1), respectively. Furthermore, computational studies on other SARS-CoV-2
strains resulting from mutations in the original wild strain (V483A, N501Y-K417N-E484K, N501Y,
N439K, L452R-T478K, K417N, G476S, F456L, E484K) revealed that virus internalization activity was
maintained, but with different single compound contributions.",
publisher = "MDPI",
journal = "Molecules",
title = "In Silico and In Vitro Studies of Alchemilla viridiflora Rothm-Polyphenols' Potential for Inhibition of SARS-CoV-2 Internalization",
volume = "27",
number = "16",
doi = "10.3390/molecules27165174"
}