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dc.creatorSuručić, Relja
dc.creatorRadović-Selgrad, Jelena
dc.creatorKundaković-Vasović, Tatjana
dc.creatorLazović, Vesna
dc.creatorTravar, Maja
dc.creatorSuručić, Ljiljana
dc.creatorŠkrbić, Ranko
dc.date.accessioned2022-09-08T08:03:10Z
dc.date.available2022-09-08T08:03:10Z
dc.date.issued2022
dc.identifier.issn1420-3049
dc.identifier.urihttps://farfar.pharmacy.bg.ac.rs/handle/123456789/4261
dc.description.abstractSince 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.sr
dc.language.isoensr
dc.publisherMDPIsr
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200161/RS//sr
dc.rightsopenAccesssr
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourceMoleculessr
dc.subjectAlchemilla viridiflora Rothm.sr
dc.subjectpolyphenolssr
dc.subjectSARS-CoV-2sr
dc.subjectCOVID-19sr
dc.subjectspike glycoproteinsr
dc.subjectneuropilin-1sr
dc.subjectin vitrosr
dc.subjectin silicosr
dc.titleIn Silico and In Vitro Studies of Alchemilla viridiflora Rothm-Polyphenols' Potential for Inhibition of SARS-CoV-2 Internalizationsr
dc.typearticlesr
dc.rights.licenseBYsr
dc.citation.volume27
dc.citation.issue16
dc.citation.rankM22
dc.identifier.wos000845339300001
dc.identifier.doi10.3390/molecules27165174
dc.identifier.scopus2-s2.0-85136685773
dc.identifier.fulltexthttp://farfar.pharmacy.bg.ac.rs/bitstream/id/10349/In_Silico_and_pub_2022.pdf
dc.type.versionpublishedVersionsr


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