Matches in SemOpenAlex for { <https://semopenalex.org/work/W4378374248> ?p ?o ?g. }
- W4378374248 endingPage "15" @default.
- W4378374248 startingPage "1" @default.
- W4378374248 abstract "Phthalocyanine and hypericin have been previously identified as possible SARS-CoV-2 Spike glycoprotein fusion inhibitors through a virtual screening procedure. In this paper, atomistic simulations of metal-free phthalocyanines and atomistic and coarse-grained simulations of hypericins, placed around a complete model of the Spike embedded in a viral membrane, allowed to further explore their multi-target inhibitory potential, uncovering their binding to key protein functional regions and their propensity to insert in the membrane. Following computational results, pre-treatment of a pseudovirus expressing the SARS-CoV-2 Spike protein with low compounds concentrations resulted in a strong inhibition of its entry into cells, suggesting the activity of these molecules should involve the direct targeting of the viral envelope surface. The combination of computational and in vitro results hence supports the role of hypericin and phthalocyanine as promising SARS-CoV-2 entry inhibitors, further endorsed by literature reporting the efficacy of these compounds in inhibiting SARS-CoV-2 activity and in treating hospitalized COVID-19 patients.Communicated by Ramaswamy H. Sarma" @default.
- W4378374248 created "2023-05-27" @default.
- W4378374248 creator A5005166897 @default.
- W4378374248 creator A5018585630 @default.
- W4378374248 creator A5020324613 @default.
- W4378374248 creator A5073611920 @default.
- W4378374248 creator A5084589140 @default.
- W4378374248 date "2023-05-26" @default.
- W4378374248 modified "2023-10-01" @default.
- W4378374248 title "Computational and experimental validation of phthalocyanine and hypericin as effective SARS-CoV-2 fusion inhibitors" @default.
- W4378374248 cites W1031578623 @default.
- W4378374248 cites W1178456644 @default.
- W4378374248 cites W1786911182 @default.
- W4378374248 cites W1968791003 @default.
- W4378374248 cites W1969493239 @default.
- W4378374248 cites W1972758026 @default.
- W4378374248 cites W1975365466 @default.
- W4378374248 cites W1976499671 @default.
- W4378374248 cites W1978591779 @default.
- W4378374248 cites W1984096630 @default.
- W4378374248 cites W1984538125 @default.
- W4378374248 cites W1993630966 @default.
- W4378374248 cites W2003949305 @default.
- W4378374248 cites W2015417818 @default.
- W4378374248 cites W2021520922 @default.
- W4378374248 cites W2029667189 @default.
- W4378374248 cites W2038758364 @default.
- W4378374248 cites W2057477511 @default.
- W4378374248 cites W2058211027 @default.
- W4378374248 cites W2066414494 @default.
- W4378374248 cites W2067174909 @default.
- W4378374248 cites W2080656405 @default.
- W4378374248 cites W2081294237 @default.
- W4378374248 cites W2081693079 @default.
- W4378374248 cites W2119109208 @default.
- W4378374248 cites W2128572087 @default.
- W4378374248 cites W2132589721 @default.
- W4378374248 cites W2149994005 @default.
- W4378374248 cites W2150981663 @default.
- W4378374248 cites W2153563295 @default.
- W4378374248 cites W2190008856 @default.
- W4378374248 cites W2243046530 @default.
- W4378374248 cites W2317684707 @default.
- W4378374248 cites W2320513108 @default.
- W4378374248 cites W2327174080 @default.
- W4378374248 cites W2555870966 @default.
- W4378374248 cites W2744216466 @default.
- W4378374248 cites W2751824954 @default.
- W4378374248 cites W2911720173 @default.
- W4378374248 cites W2980147544 @default.
- W4378374248 cites W2980473639 @default.
- W4378374248 cites W2989182144 @default.
- W4378374248 cites W2990206922 @default.
- W4378374248 cites W3014912119 @default.
- W4378374248 cites W3034850094 @default.
- W4378374248 cites W3036635817 @default.
- W4378374248 cites W3036854260 @default.
- W4378374248 cites W3044938537 @default.
- W4378374248 cites W3049142173 @default.
- W4378374248 cites W3086850981 @default.
- W4378374248 cites W3088579397 @default.
- W4378374248 cites W3090767360 @default.
- W4378374248 cites W3095671463 @default.
- W4378374248 cites W3097145107 @default.
- W4378374248 cites W3106674684 @default.
- W4378374248 cites W3133749268 @default.
- W4378374248 cites W3135534391 @default.
- W4378374248 cites W3148042916 @default.
- W4378374248 cites W3154411318 @default.
- W4378374248 cites W3157725558 @default.
- W4378374248 cites W3179152893 @default.
- W4378374248 cites W3179692152 @default.
- W4378374248 cites W3206046073 @default.
- W4378374248 cites W4200506814 @default.
- W4378374248 cites W4206547968 @default.
- W4378374248 cites W4211063997 @default.
- W4378374248 cites W4220681621 @default.
- W4378374248 cites W4224942364 @default.
- W4378374248 cites W4311638765 @default.
- W4378374248 cites W4313893094 @default.
- W4378374248 doi "https://doi.org/10.1080/07391102.2023.2216276" @default.
- W4378374248 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37235773" @default.
- W4378374248 hasPublicationYear "2023" @default.
- W4378374248 type Work @default.
- W4378374248 citedByCount "0" @default.
- W4378374248 crossrefType "journal-article" @default.
- W4378374248 hasAuthorship W4378374248A5005166897 @default.
- W4378374248 hasAuthorship W4378374248A5018585630 @default.
- W4378374248 hasAuthorship W4378374248A5020324613 @default.
- W4378374248 hasAuthorship W4378374248A5073611920 @default.
- W4378374248 hasAuthorship W4378374248A5084589140 @default.
- W4378374248 hasConcept C103038307 @default.
- W4378374248 hasConcept C103697762 @default.
- W4378374248 hasConcept C108625454 @default.
- W4378374248 hasConcept C12554922 @default.
- W4378374248 hasConcept C140704245 @default.
- W4378374248 hasConcept C142724271 @default.
- W4378374248 hasConcept C159047783 @default.