FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4289201611> ?p ?o ?g. }

• W4289201611 abstract "Abstract Three new compounds of amidophosphoric acid esters with a [OCH 2 C(CH 3 ) 2 CH 2 O]P(O)[ X ] segment (where X =cyclopentylamido ( 1 ), 2‐aminopyridinyl ( 2 ) and pyrrolidinyl ( 3 )) were synthesized and studied using FT‐IR and 31 P/ 13 C/ 1 H NMR spectroscopies and single‐crystal X‐ray diffraction analysis. The compounds crystallize in the triclinic space groups P for 1 and 3 and in the orthorhombic space group Pca 2 1 for 2 , where the asymmetric unit consists of three symmetrically‐independent molecules for 1 and one molecule for 2 and 3 . The intermolecular interactions and supramolecular assemblies are assessed by Hirshfeld surface analysis and enrichment ratios. The results reveal that the substituent effect plays an important role in directing the supramolecular structures. The presence of the aromatic substituent aminopyridine in 2 providing the C−H…π interactions leads to a larger variety in interactions including H…H, H…O/O…H, H…C/C…H and H…N/N…H contacts, whereas the packings of the compounds 1 and 3 bearing aliphatic substituents only include H…H and H…O/O…H contacts. The enrichment ratios affirm the importance of O…H/H…O contacts reflecting the hydrogen bond N−H…O interactions to be the enriched contacts. Compounds 1–3 were also investigated along with five similar reported structures with a [OCH 2 C(CH 3 ) 2 CH 2 O]P(O) segment for their inhibitory behavior against SARS‐CoV‐2. The molecular docking results illustrate that the presence of the aromatic amido substituent versus the aliphatic type provides a more favorable condition for their biological activities." @default.
• W4289201611 created "2022-08-01" @default.
• W4289201611 creator A5034062527 @default.
• W4289201611 creator A5047677679 @default.
• W4289201611 creator A5051254614 @default.
• W4289201611 date "2022-08-01" @default.
• W4289201611 modified "2023-09-26" @default.
• W4289201611 title "Structural and Molecular Packing study of Three New Amidophosphoric Acid Esters and Assessment of Their Inhibiting Activity Against SARS‐CoV‐2 by Molecular Docking" @default.
• W4289201611 cites W1905183855 @default.
• W4289201611 cites W1963805625 @default.
• W4289201611 cites W1968339413 @default.
• W4289201611 cites W1971705557 @default.
• W4289201611 cites W1979368277 @default.
• W4289201611 cites W1981483875 @default.
• W4289201611 cites W2004435637 @default.
• W4289201611 cites W2013176211 @default.
• W4289201611 cites W2014594715 @default.
• W4289201611 cites W2034682664 @default.
• W4289201611 cites W2048408515 @default.
• W4289201611 cites W2057442509 @default.
• W4289201611 cites W2059205366 @default.
• W4289201611 cites W2064502275 @default.
• W4289201611 cites W2067718414 @default.
• W4289201611 cites W2068864017 @default.
• W4289201611 cites W2071955309 @default.
• W4289201611 cites W2072365871 @default.
• W4289201611 cites W2079885704 @default.
• W4289201611 cites W2085198303 @default.
• W4289201611 cites W2092488499 @default.
• W4289201611 cites W2093281649 @default.
• W4289201611 cites W2104376144 @default.
• W4289201611 cites W2105668062 @default.
• W4289201611 cites W2112011144 @default.
• W4289201611 cites W2112411768 @default.
• W4289201611 cites W2143803583 @default.
• W4289201611 cites W2145538332 @default.
• W4289201611 cites W2165528549 @default.
• W4289201611 cites W2166000509 @default.
• W4289201611 cites W2739439285 @default.
• W4289201611 cites W2765819597 @default.
• W4289201611 cites W2898574773 @default.
• W4289201611 cites W2949360401 @default.
• W4289201611 cites W2964366943 @default.
• W4289201611 cites W3001118548 @default.
• W4289201611 cites W3005285909 @default.
• W4289201611 cites W3012588029 @default.
• W4289201611 cites W3034310241 @default.
• W4289201611 cites W3044039882 @default.
• W4289201611 cites W3047167203 @default.
• W4289201611 cites W3113106398 @default.
• W4289201611 cites W3157590392 @default.
• W4289201611 cites W4212913637 @default.
• W4289201611 cites W4214815173 @default.
• W4289201611 cites W4214926589 @default.
• W4289201611 cites W4223504917 @default.
• W4289201611 cites W4245849577 @default.
• W4289201611 doi "https://doi.org/10.1002/slct.202201504" @default.
• W4289201611 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36247410" @default.
• W4289201611 hasPublicationYear "2022" @default.
• W4289201611 type Work @default.
• W4289201611 citedByCount "1" @default.
• W4289201611 countsByYear W42892016112023 @default.
• W4289201611 crossrefType "journal-article" @default.
• W4289201611 hasAuthorship W4289201611A5034062527 @default.
• W4289201611 hasAuthorship W4289201611A5047677679 @default.
• W4289201611 hasAuthorship W4289201611A5051254614 @default.
• W4289201611 hasBestOaLocation W42892016111 @default.
• W4289201611 hasConcept C112887158 @default.
• W4289201611 hasConcept C115624301 @default.
• W4289201611 hasConcept C166950319 @default.
• W4289201611 hasConcept C178790620 @default.
• W4289201611 hasConcept C185592680 @default.
• W4289201611 hasConcept C2778689049 @default.
• W4289201611 hasConcept C32909587 @default.
• W4289201611 hasConcept C37243968 @default.
• W4289201611 hasConcept C42228675 @default.
• W4289201611 hasConcept C71240020 @default.
• W4289201611 hasConcept C8010536 @default.
• W4289201611 hasConcept C93275456 @default.
• W4289201611 hasConceptScore W4289201611C112887158 @default.
• W4289201611 hasConceptScore W4289201611C115624301 @default.
• W4289201611 hasConceptScore W4289201611C166950319 @default.
• W4289201611 hasConceptScore W4289201611C178790620 @default.
• W4289201611 hasConceptScore W4289201611C185592680 @default.
• W4289201611 hasConceptScore W4289201611C2778689049 @default.
• W4289201611 hasConceptScore W4289201611C32909587 @default.
• W4289201611 hasConceptScore W4289201611C37243968 @default.
• W4289201611 hasConceptScore W4289201611C42228675 @default.
• W4289201611 hasConceptScore W4289201611C71240020 @default.
• W4289201611 hasConceptScore W4289201611C8010536 @default.
• W4289201611 hasConceptScore W4289201611C93275456 @default.
• W4289201611 hasFunder F4320324157 @default.
• W4289201611 hasIssue "29" @default.
• W4289201611 hasLocation W42892016111 @default.
• W4289201611 hasLocation W42892016112 @default.
• W4289201611 hasLocation W42892016113 @default.
• W4289201611 hasLocation W42892016114 @default.
• W4289201611 hasOpenAccess W4289201611 @default.
• W4289201611 hasPrimaryLocation W42892016111 @default.
• W4289201611 hasRelatedWork W1978638834 @default.

• next