TY  - JOUR
AU  - Suručić, Relja
AU  - Radović-Selgrad, Jelena
AU  - Kundaković-Vasović, Tatjana
AU  - Lazović, Vesna
AU  - Travar, Maja
AU  - Suručić, Ljiljana
AU  - Škrbić, Ranko
PY  - 2022
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4261
AB  - 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.
PB  - MDPI
T2  - Molecules
T1  - In Silico and In Vitro Studies of Alchemilla viridiflora Rothm-Polyphenols' Potential for Inhibition of SARS-CoV-2 Internalization
VL  - 27
IS  - 16
DO  - 10.3390/molecules27165174
ER  - 

@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"
}

Suručić, R., Radović-Selgrad, J., Kundaković-Vasović, T., Lazović, V., Travar, M., Suručić, L.,& Škrbić, R.. (2022). In Silico and In Vitro Studies of Alchemilla viridiflora Rothm-Polyphenols' Potential for Inhibition of SARS-CoV-2 Internalization. in Molecules
MDPI., 27(16).
https://doi.org/10.3390/molecules27165174

Suručić R, Radović-Selgrad J, Kundaković-Vasović T, Lazović V, Travar M, Suručić L, Škrbić R. In Silico and In Vitro Studies of Alchemilla viridiflora Rothm-Polyphenols' Potential for Inhibition of SARS-CoV-2 Internalization. in Molecules. 2022;27(16).
doi:10.3390/molecules27165174 .

Suručić, Relja, Radović-Selgrad, Jelena, Kundaković-Vasović, Tatjana, Lazović, Vesna, Travar, Maja, Suručić, Ljiljana, Škrbić, Ranko, "In Silico and In Vitro Studies of Alchemilla viridiflora Rothm-Polyphenols' Potential for Inhibition of SARS-CoV-2 Internalization" in Molecules, 27, no. 16 (2022),
https://doi.org/10.3390/molecules27165174 . .