FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3208121144> ?p ?o ?g. }

• W3208121144 endingPage "29" @default.
• W3208121144 startingPage "18" @default.
• W3208121144 abstract "The ongoing global outbreak of new corona virus (SARS-CoV-2) has been recognized as global public health concern since it causes high morbidity and mortality every day. Due to the rapid spreading and re-emerging, we need to find a potent drug against SARS-CoV-2. Synthetic drugs, such as hydroxychloroquine, remdisivir have paid more attention and the effects of these drugs are still under investigation, due to their severe side effects. Therefore, the aim of the present study was performed to identify the potential inhibitor against main protease SARS-CoV-2 6LU7.In this study, RO5, ADME properties, molecular dynamic simulations and free binding energy prediction were mainly investigated.The molecular docking study findings revealed that andrographolide had higher binding affinity among the selected natural diterpenoids compared to co-crystal native ligand inhibitor N3. The persistent inhibition of Ki for diterpenoids was analogous. Furthermore, the simulations of molecular dynamics and free binding energy findings have shown that andrographolide possesses a large amount of dynamic properties such as stability, flexibility and binding energy.In conclusion, findings of the current study suggest that selected diterpenoids were predicted to be the significant phytonutrient-based inhibitor against SARS-CoV-2 6LU7 (Mpro). However, preclinical and clinical trials are needed for the further scientific validation before use." @default.
• W3208121144 created "2021-11-08" @default.
• W3208121144 creator A5002179188 @default.
• W3208121144 creator A5025325572 @default.
• W3208121144 creator A5035967257 @default.
• W3208121144 creator A5051383899 @default.
• W3208121144 creator A5054404237 @default.
• W3208121144 creator A5055731064 @default.
• W3208121144 creator A5069103934 @default.
• W3208121144 creator A5080292778 @default.
• W3208121144 creator A5083798477 @default.
• W3208121144 creator A5087530596 @default.
• W3208121144 date "2022-01-01" @default.
• W3208121144 modified "2023-10-06" @default.
• W3208121144 title "In silico identification of potential inhibitors against main protease of SARS-CoV-2 6LU7 from Andrographis panniculata via molecular docking, binding energy calculations and molecular dynamics simulation studies" @default.
• W3208121144 cites W1981737096 @default.
• W3208121144 cites W1992009633 @default.
• W3208121144 cites W2049182440 @default.
• W3208121144 cites W2054618769 @default.
• W3208121144 cites W2101712904 @default.
• W3208121144 cites W2168763969 @default.
• W3208121144 cites W2471906252 @default.
• W3208121144 cites W2587056369 @default.
• W3208121144 cites W2621506908 @default.
• W3208121144 cites W2903899730 @default.
• W3208121144 cites W2942084807 @default.
• W3208121144 cites W2946966361 @default.
• W3208121144 cites W2992926528 @default.
• W3208121144 cites W2996339586 @default.
• W3208121144 cites W2997909102 @default.
• W3208121144 cites W3012211282 @default.
• W3208121144 cites W3012581356 @default.
• W3208121144 cites W3013867929 @default.
• W3208121144 cites W3014852814 @default.
• W3208121144 cites W3015438945 @default.
• W3208121144 cites W3017092394 @default.
• W3208121144 cites W3033737840 @default.
• W3208121144 cites W3036533652 @default.
• W3208121144 cites W3036725561 @default.
• W3208121144 cites W3036865214 @default.
• W3208121144 cites W3104456113 @default.
• W3208121144 cites W3137279730 @default.
• W3208121144 cites W3165656738 @default.
• W3208121144 doi "https://doi.org/10.1016/j.sjbs.2021.10.060" @default.
• W3208121144 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8555113" @default.
• W3208121144 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34729030" @default.
• W3208121144 hasPublicationYear "2022" @default.
• W3208121144 type Work @default.
• W3208121144 sameAs 3208121144 @default.
• W3208121144 citedByCount "12" @default.
• W3208121144 countsByYear W32081211442022 @default.
• W3208121144 countsByYear W32081211442023 @default.
• W3208121144 crossrefType "journal-article" @default.
• W3208121144 hasAuthorship W3208121144A5002179188 @default.
• W3208121144 hasAuthorship W3208121144A5025325572 @default.
• W3208121144 hasAuthorship W3208121144A5035967257 @default.
• W3208121144 hasAuthorship W3208121144A5051383899 @default.
• W3208121144 hasAuthorship W3208121144A5054404237 @default.
• W3208121144 hasAuthorship W3208121144A5055731064 @default.
• W3208121144 hasAuthorship W3208121144A5069103934 @default.
• W3208121144 hasAuthorship W3208121144A5080292778 @default.
• W3208121144 hasAuthorship W3208121144A5083798477 @default.
• W3208121144 hasAuthorship W3208121144A5087530596 @default.
• W3208121144 hasBestOaLocation W32081211441 @default.
• W3208121144 hasConcept C104317684 @default.
• W3208121144 hasConcept C147597530 @default.
• W3208121144 hasConcept C159110408 @default.
• W3208121144 hasConcept C185592680 @default.
• W3208121144 hasConcept C25057246 @default.
• W3208121144 hasConcept C2775905019 @default.
• W3208121144 hasConcept C2780035454 @default.
• W3208121144 hasConcept C2781357234 @default.
• W3208121144 hasConcept C41685203 @default.
• W3208121144 hasConcept C55493867 @default.
• W3208121144 hasConcept C59593255 @default.
• W3208121144 hasConcept C69366308 @default.
• W3208121144 hasConcept C70721500 @default.
• W3208121144 hasConcept C71240020 @default.
• W3208121144 hasConcept C71924100 @default.
• W3208121144 hasConcept C86803240 @default.
• W3208121144 hasConcept C98274493 @default.
• W3208121144 hasConceptScore W3208121144C104317684 @default.
• W3208121144 hasConceptScore W3208121144C147597530 @default.
• W3208121144 hasConceptScore W3208121144C159110408 @default.
• W3208121144 hasConceptScore W3208121144C185592680 @default.
• W3208121144 hasConceptScore W3208121144C25057246 @default.
• W3208121144 hasConceptScore W3208121144C2775905019 @default.
• W3208121144 hasConceptScore W3208121144C2780035454 @default.
• W3208121144 hasConceptScore W3208121144C2781357234 @default.
• W3208121144 hasConceptScore W3208121144C41685203 @default.
• W3208121144 hasConceptScore W3208121144C55493867 @default.
• W3208121144 hasConceptScore W3208121144C59593255 @default.
• W3208121144 hasConceptScore W3208121144C69366308 @default.
• W3208121144 hasConceptScore W3208121144C70721500 @default.
• W3208121144 hasConceptScore W3208121144C71240020 @default.
• W3208121144 hasConceptScore W3208121144C71924100 @default.
• W3208121144 hasConceptScore W3208121144C86803240 @default.
• W3208121144 hasConceptScore W3208121144C98274493 @default.

• next