| Naslov: | Novel small-molecule inhibitors of the SARS-CoV-2 spike protein binding to neuropilin 1 |
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| Avtorji: | ID Kolarič, Anja (Avtor)
ID Jukič, Marko (Avtor)
ID Bren, Urban (Avtor) |
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| Datoteke: |  pharmaceuticals-15-00165-v2.pdf (6,27 MB)
MD5: B82CA77FA0906A8506807CA8247AE1BD
 https://www.mdpi.com/1424-8247/15/2/165
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| Jezik: | Angleški jezik |
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| Vrsta gradiva: | Članek v reviji |
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| Tipologija: | 1.01 - Izvirni znanstveni članek |
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| Organizacija: | FKKT - Fakulteta za kemijo in kemijsko tehnologijo
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| Opis: | Furin cleavage of the SARS-CoV-2 spike protein results in a polybasic terminal sequence
termed the C-end rule (CendR), which is responsible for the binding to neuropilin 1 (NRP1), enhancing
viral infectivity and entry into the cell. Here we report the identification of 20 small-molecule
inhibitors that emerged from a virtual screening of nearly 950,000 drug-like compounds that bind
with high probability to the CendR-binding pocket of NRP1. In a spike NRP1 binding assay, two of
these compounds displayed a stronger inhibition of spike protein binding to NRP1 than the known
NRP1 antagonist EG00229, for which the inhibition of the CendR peptide binding to NRP1 was
also experimentally confirmed. These compounds present a good starting point for the design of
small-molecule antagonists against the SARS-CoV-2 viral entry. |
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| Ključne besede: | neuropilin 1, SARS-CoV-2, COVID-19, spike binding inhibitors, virtual screening, small-molecule antagonists, molecular docking, in vitro binding assay |
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| Status publikacije: | Objavljeno |
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| Verzija publikacije: | Objavljena publikacija |
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| Poslano v recenzijo: | 29.10.2021 |
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| Datum sprejetja članka: | 26.01.2022 |
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| Datum objave: | 28.01.2022 |
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| Založnik: | MDPI, Molecular Diversity Preservation International |
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| Leto izida: | 2022 |
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| Št. strani: | 14 str. |
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| Številčenje: | Vol. 15, no. 2 |
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| PID: | 20.500.12556/DKUM-92745  |
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| UDK: | 577 |
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| COBISS.SI-ID: | 95574275 |
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| DOI: | 10.3390/ph15020165 |
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| ISSN pri članku: | 1424-8247 |
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| Avtorske pravice: | © 2022 by the authors |
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| Datum objave v DKUM: | 09.05.2025 |
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| Število ogledov: | 170 |
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| Število prenosov: | 16 |
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| Metapodatki: |    |
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| Področja: | Ostalo
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