Matches in SemOpenAlex for { <https://semopenalex.org/work/W4210780330> ?p ?o ?g. }
Showing items 1 to 95 of
95
with 100 items per page.
- W4210780330 endingPage "386" @default.
- W4210780330 startingPage "371" @default.
- W4210780330 abstract "Due to the emergency and uncontrolled situation caused by the COVID-19 pandemic that arising in the entire world, it is necessary to choose available drugs that can inhibit or prevent the disease. Therefore, the repurposing of the commercial antibiotic, dirithromycin has been screened for the first time against fifteen receptors and compared to the azithromycin using a molecular docking approach to identify possible SARS-CoV-2 inhibitors. Our docking results showed that dirithromycin fit significantly in the Furin catalytic pocket having the lowest binding score (-9.9 Kcal/mol) with respect to azithromycin (-9.4 Kcal/mol) and can interact and block both Asp154 and Ser368 residues by Van der Walls interaction as well as bound to His194 and Ser368 residues via hydrogen bonds. Good results were also obtained with the Tmprss-2 receptor. A Molecular Dynamic simulation was assessed to confirm this interaction. Additionally, detailed receptor-ligand interactions with SARS-CoV-2 and pro-inflammatory mediators were investigated suggesting more target information with interesting results. The findings of this study are very efficient and provide a basis for the development of dirithromycin for clinical trial applications to be efficient in treating SARS-CoV-2 infections." @default.
- W4210780330 created "2022-02-08" @default.
- W4210780330 creator A5019124966 @default.
- W4210780330 creator A5038617233 @default.
- W4210780330 creator A5052989493 @default.
- W4210780330 creator A5062565762 @default.
- W4210780330 creator A5062761884 @default.
- W4210780330 creator A5070678346 @default.
- W4210780330 creator A5077366181 @default.
- W4210780330 creator A5081068525 @default.
- W4210780330 creator A5082125063 @default.
- W4210780330 creator A5085291497 @default.
- W4210780330 creator A5086912937 @default.
- W4210780330 date "2022-02-04" @default.
- W4210780330 modified "2023-10-04" @default.
- W4210780330 title "Comparative Computational Analysis of Dirithromycin and Azithromycin in Search for a Potent Drug against COVID-19 caused by SARS-CoV-2: Evidence from molecular docking and dynamic simulation" @default.
- W4210780330 doi "https://doi.org/10.14715/cmb/2021.67.5.50" @default.
- W4210780330 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35818230" @default.
- W4210780330 hasPublicationYear "2022" @default.
- W4210780330 type Work @default.
- W4210780330 citedByCount "0" @default.
- W4210780330 crossrefType "journal-article" @default.
- W4210780330 hasAuthorship W4210780330A5019124966 @default.
- W4210780330 hasAuthorship W4210780330A5038617233 @default.
- W4210780330 hasAuthorship W4210780330A5052989493 @default.
- W4210780330 hasAuthorship W4210780330A5062565762 @default.
- W4210780330 hasAuthorship W4210780330A5062761884 @default.
- W4210780330 hasAuthorship W4210780330A5070678346 @default.
- W4210780330 hasAuthorship W4210780330A5077366181 @default.
- W4210780330 hasAuthorship W4210780330A5081068525 @default.
- W4210780330 hasAuthorship W4210780330A5082125063 @default.
- W4210780330 hasAuthorship W4210780330A5085291497 @default.
- W4210780330 hasAuthorship W4210780330A5086912937 @default.
- W4210780330 hasBestOaLocation W42107803301 @default.
- W4210780330 hasConcept C103637391 @default.
- W4210780330 hasConcept C142724271 @default.
- W4210780330 hasConcept C185592680 @default.
- W4210780330 hasConcept C18903297 @default.
- W4210780330 hasConcept C2778907293 @default.
- W4210780330 hasConcept C2779134260 @default.
- W4210780330 hasConcept C2780035454 @default.
- W4210780330 hasConcept C3007834351 @default.
- W4210780330 hasConcept C3008058167 @default.
- W4210780330 hasConcept C41685203 @default.
- W4210780330 hasConcept C42972112 @default.
- W4210780330 hasConcept C501593827 @default.
- W4210780330 hasConcept C519536355 @default.
- W4210780330 hasConcept C524204448 @default.
- W4210780330 hasConcept C55493867 @default.
- W4210780330 hasConcept C70721500 @default.
- W4210780330 hasConcept C71924100 @default.
- W4210780330 hasConcept C86803240 @default.
- W4210780330 hasConcept C89623803 @default.
- W4210780330 hasConcept C98274493 @default.
- W4210780330 hasConceptScore W4210780330C103637391 @default.
- W4210780330 hasConceptScore W4210780330C142724271 @default.
- W4210780330 hasConceptScore W4210780330C185592680 @default.
- W4210780330 hasConceptScore W4210780330C18903297 @default.
- W4210780330 hasConceptScore W4210780330C2778907293 @default.
- W4210780330 hasConceptScore W4210780330C2779134260 @default.
- W4210780330 hasConceptScore W4210780330C2780035454 @default.
- W4210780330 hasConceptScore W4210780330C3007834351 @default.
- W4210780330 hasConceptScore W4210780330C3008058167 @default.
- W4210780330 hasConceptScore W4210780330C41685203 @default.
- W4210780330 hasConceptScore W4210780330C42972112 @default.
- W4210780330 hasConceptScore W4210780330C501593827 @default.
- W4210780330 hasConceptScore W4210780330C519536355 @default.
- W4210780330 hasConceptScore W4210780330C524204448 @default.
- W4210780330 hasConceptScore W4210780330C55493867 @default.
- W4210780330 hasConceptScore W4210780330C70721500 @default.
- W4210780330 hasConceptScore W4210780330C71924100 @default.
- W4210780330 hasConceptScore W4210780330C86803240 @default.
- W4210780330 hasConceptScore W4210780330C89623803 @default.
- W4210780330 hasConceptScore W4210780330C98274493 @default.
- W4210780330 hasIssue "5" @default.
- W4210780330 hasLocation W42107803301 @default.
- W4210780330 hasLocation W42107803302 @default.
- W4210780330 hasOpenAccess W4210780330 @default.
- W4210780330 hasPrimaryLocation W42107803301 @default.
- W4210780330 hasRelatedWork W18403 @default.
- W4210780330 hasRelatedWork W3910314 @default.
- W4210780330 hasRelatedWork W4038927 @default.
- W4210780330 hasRelatedWork W4693818 @default.
- W4210780330 hasRelatedWork W5626451 @default.
- W4210780330 hasRelatedWork W6483477 @default.
- W4210780330 hasRelatedWork W7730909 @default.
- W4210780330 hasRelatedWork W8302687 @default.
- W4210780330 hasRelatedWork W8990660 @default.
- W4210780330 hasRelatedWork W9552966 @default.
- W4210780330 hasVolume "67" @default.
- W4210780330 isParatext "false" @default.
- W4210780330 isRetracted "false" @default.
- W4210780330 workType "article" @default.