Matches in SemOpenAlex for { <https://semopenalex.org/work/W4214575992> ?p ?o ?g. }
- W4214575992 endingPage "2643" @default.
- W4214575992 startingPage "2643" @default.
- W4214575992 abstract "The overall impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) on our society is unprecedented. The identification of small natural ligands that could prevent the entry and/or replication of the coronavirus remains a pertinent approach to fight the coronavirus disease (COVID-19) pandemic. Previously, we showed that the phenolic compounds corilagin and 1,3,6-tri-O-galloyl-β-D-glucose (TGG) inhibit the interaction between the SARS-CoV-2 spike protein receptor binding domain (RBD) and angiotensin-converting enzyme 2 (ACE2), the SARS-CoV-2 target receptor on the cell membrane of the host organism. Building on these promising results, we now assess the effects of these phenolic ligands on two other crucial targets involved in SARS-CoV-2 cell entry and replication, respectively: transmembrane protease serine 2 (TMPRSS2) and 3-chymotrypsin like protease (3CLpro) inhibitors. Since corilagin, TGG, and tannic acid (TA) share many physicochemical and structural properties, we investigate the binding of TA to these targets. In this work, a combination of experimental methods (biochemical inhibition assays, surface plasmon resonance, and quartz crystal microbalance with dissipation monitoring) confirms the potential role of TA in the prevention of SARS-CoV-2 infectivity through the inhibition of extracellular RBD/ACE2 interactions and TMPRSS2 and 3CLpro activity. Moreover, molecular docking prediction followed by dynamic simulation and molecular mechanics Poisson-Boltzmann surface area (MMPBSA) free energy calculation also shows that TA binds to RBD, TMPRSS2, and 3CLpro with higher affinities than TGG and corilagin. Overall, these results suggest that naturally occurring TA is a promising candidate to prevent and inhibit the infectivity of SARS-CoV-2." @default.
- W4214575992 created "2022-03-02" @default.
- W4214575992 creator A5015351067 @default.
- W4214575992 creator A5015876579 @default.
- W4214575992 creator A5019228061 @default.
- W4214575992 creator A5022137374 @default.
- W4214575992 creator A5033954143 @default.
- W4214575992 creator A5045274730 @default.
- W4214575992 creator A5072821874 @default.
- W4214575992 creator A5073432498 @default.
- W4214575992 creator A5077043599 @default.
- W4214575992 date "2022-02-27" @default.
- W4214575992 modified "2023-09-30" @default.
- W4214575992 title "Molecular Interactions of Tannic Acid with Proteins Associated with SARS-CoV-2 Infectivity" @default.
- W4214575992 cites W1031578623 @default.
- W4214575992 cites W1604732609 @default.
- W4214575992 cites W1964958542 @default.
- W4214575992 cites W1971262650 @default.
- W4214575992 cites W1991794210 @default.
- W4214575992 cites W2000390305 @default.
- W4214575992 cites W2008708467 @default.
- W4214575992 cites W2012505332 @default.
- W4214575992 cites W2015688756 @default.
- W4214575992 cites W2016960645 @default.
- W4214575992 cites W2017196167 @default.
- W4214575992 cites W2029582401 @default.
- W4214575992 cites W2035199159 @default.
- W4214575992 cites W2035687084 @default.
- W4214575992 cites W2039366858 @default.
- W4214575992 cites W2041372222 @default.
- W4214575992 cites W2044172327 @default.
- W4214575992 cites W2044549602 @default.
- W4214575992 cites W2067174909 @default.
- W4214575992 cites W2069015326 @default.
- W4214575992 cites W2072756748 @default.
- W4214575992 cites W2074473216 @default.
- W4214575992 cites W2074871980 @default.
- W4214575992 cites W2081693079 @default.
- W4214575992 cites W2081912151 @default.
- W4214575992 cites W2095719702 @default.
- W4214575992 cites W2103945336 @default.
- W4214575992 cites W2127336290 @default.
- W4214575992 cites W2128572087 @default.
- W4214575992 cites W2128972532 @default.
- W4214575992 cites W2134967712 @default.
- W4214575992 cites W2136414263 @default.
- W4214575992 cites W2137143138 @default.
- W4214575992 cites W2145694499 @default.
- W4214575992 cites W2147993766 @default.
- W4214575992 cites W2151410695 @default.
- W4214575992 cites W2155358697 @default.
- W4214575992 cites W2165779834 @default.
- W4214575992 cites W2405862854 @default.
- W4214575992 cites W2599199563 @default.
- W4214575992 cites W2771755723 @default.
- W4214575992 cites W2784323226 @default.
- W4214575992 cites W2888400067 @default.
- W4214575992 cites W2912500521 @default.
- W4214575992 cites W2921847492 @default.
- W4214575992 cites W2966166663 @default.
- W4214575992 cites W2981614405 @default.
- W4214575992 cites W3006116465 @default.
- W4214575992 cites W3009678818 @default.
- W4214575992 cites W3009912996 @default.
- W4214575992 cites W3010126769 @default.
- W4214575992 cites W3010955108 @default.
- W4214575992 cites W3011366455 @default.
- W4214575992 cites W3012883269 @default.
- W4214575992 cites W3013093478 @default.
- W4214575992 cites W3016525638 @default.
- W4214575992 cites W3021411957 @default.
- W4214575992 cites W3034876135 @default.
- W4214575992 cites W3045339903 @default.
- W4214575992 cites W3047775466 @default.
- W4214575992 cites W3083929515 @default.
- W4214575992 cites W3084285472 @default.
- W4214575992 cites W3092077375 @default.
- W4214575992 cites W3092640439 @default.
- W4214575992 cites W3094526409 @default.
- W4214575992 cites W3098834224 @default.
- W4214575992 cites W3102933109 @default.
- W4214575992 cites W3111067485 @default.
- W4214575992 cites W3111133539 @default.
- W4214575992 cites W3112229561 @default.
- W4214575992 cites W3115664260 @default.
- W4214575992 cites W3120641136 @default.
- W4214575992 cites W3123747271 @default.
- W4214575992 cites W3127364550 @default.
- W4214575992 cites W3129124164 @default.
- W4214575992 cites W3129399011 @default.
- W4214575992 cites W3131619507 @default.
- W4214575992 cites W3136244716 @default.
- W4214575992 cites W3139690347 @default.
- W4214575992 cites W3140346797 @default.
- W4214575992 cites W3144228652 @default.
- W4214575992 cites W3153093973 @default.
- W4214575992 cites W3157596966 @default.
- W4214575992 cites W3163828332 @default.