Matches in SemOpenAlex for { <https://semopenalex.org/work/W2942858422> ?p ?o ?g. }
Showing items 1 to 94 of
94
with 100 items per page.
- W2942858422 endingPage "104" @default.
- W2942858422 startingPage "91" @default.
- W2942858422 abstract "Abstract In the present study, a new series of biheterocycles pyrazoline-thiazolidinones derivatized at fifth position with substituted arylidene groups were developed as potent inhibitors of Escherichia coli FabH (PDB: 5BNS) an antimicrobial target. These compounds are conveniently synthesized from 3,5-substituted pyrazolinyl carbothioamide precursor. The virtual inhibition assay and pharmacokinetic profiling were carried out based on in vitro antimicrobial assay on pathogenic microbes. Amongst, the compound with 4-methoxy benzylidene substituent emerged as effective against all tested bacterial strains. The compound binds very effectively to the active site of the target with minimum glide score = −8.400 kcal/mol. The structure of newly synthesized derivatives was confirmed by several spectroscopic techniques and some of the hybrids by single crystal XRD studies. The compounds 3, 4a and 4g were crystallized in monoclinic crystal system with P21/c, P21/n and Cc space group respectively. The intermolecular contacts in the crystal structure were elucidated by Hirshfeld computational methods and molecular electrostatic potential maps illustrated the charge distribution of the molecules." @default.
- W2942858422 created "2019-05-09" @default.
- W2942858422 creator A5014657193 @default.
- W2942858422 creator A5021019927 @default.
- W2942858422 creator A5022046046 @default.
- W2942858422 creator A5041850082 @default.
- W2942858422 creator A5052678768 @default.
- W2942858422 creator A5004650742 @default.
- W2942858422 date "2019-09-01" @default.
- W2942858422 modified "2023-10-18" @default.
- W2942858422 title "Tailor made biheterocyclic pyrazoline-thiazolidinones as effective inhibitors of Escherichia coli FabH: Design, synthesis and structural studies" @default.
- W2942858422 cites W1542443322 @default.
- W2942858422 cites W1905183855 @default.
- W2942858422 cites W1940548131 @default.
- W2942858422 cites W1969360633 @default.
- W2942858422 cites W1979368277 @default.
- W2942858422 cites W1985174392 @default.
- W2942858422 cites W1989614870 @default.
- W2942858422 cites W2001470514 @default.
- W2942858422 cites W2008040314 @default.
- W2942858422 cites W2009098073 @default.
- W2942858422 cites W2013671485 @default.
- W2942858422 cites W2030297905 @default.
- W2942858422 cites W2036775739 @default.
- W2942858422 cites W2044302838 @default.
- W2942858422 cites W2044499464 @default.
- W2942858422 cites W2045221349 @default.
- W2942858422 cites W2059102763 @default.
- W2942858422 cites W2072108948 @default.
- W2942858422 cites W2074938070 @default.
- W2942858422 cites W2077892149 @default.
- W2942858422 cites W2081913031 @default.
- W2942858422 cites W2089475777 @default.
- W2942858422 cites W2089574297 @default.
- W2942858422 cites W2099303927 @default.
- W2942858422 cites W2131350133 @default.
- W2942858422 cites W2558348587 @default.
- W2942858422 cites W2578898457 @default.
- W2942858422 cites W2593936483 @default.
- W2942858422 cites W2950769405 @default.
- W2942858422 cites W4239011635 @default.
- W2942858422 cites W4247615298 @default.
- W2942858422 cites W4256325470 @default.
- W2942858422 doi "https://doi.org/10.1016/j.molstruc.2019.04.105" @default.
- W2942858422 hasPublicationYear "2019" @default.
- W2942858422 type Work @default.
- W2942858422 sameAs 2942858422 @default.
- W2942858422 citedByCount "12" @default.
- W2942858422 countsByYear W29428584222020 @default.
- W2942858422 countsByYear W29428584222021 @default.
- W2942858422 countsByYear W29428584222022 @default.
- W2942858422 crossrefType "journal-article" @default.
- W2942858422 hasAuthorship W2942858422A5004650742 @default.
- W2942858422 hasAuthorship W2942858422A5014657193 @default.
- W2942858422 hasAuthorship W2942858422A5021019927 @default.
- W2942858422 hasAuthorship W2942858422A5022046046 @default.
- W2942858422 hasAuthorship W2942858422A5041850082 @default.
- W2942858422 hasAuthorship W2942858422A5052678768 @default.
- W2942858422 hasConcept C104317684 @default.
- W2942858422 hasConcept C178790620 @default.
- W2942858422 hasConcept C185592680 @default.
- W2942858422 hasConcept C21951064 @default.
- W2942858422 hasConcept C2780744904 @default.
- W2942858422 hasConcept C547475151 @default.
- W2942858422 hasConcept C55493867 @default.
- W2942858422 hasConcept C71240020 @default.
- W2942858422 hasConceptScore W2942858422C104317684 @default.
- W2942858422 hasConceptScore W2942858422C178790620 @default.
- W2942858422 hasConceptScore W2942858422C185592680 @default.
- W2942858422 hasConceptScore W2942858422C21951064 @default.
- W2942858422 hasConceptScore W2942858422C2780744904 @default.
- W2942858422 hasConceptScore W2942858422C547475151 @default.
- W2942858422 hasConceptScore W2942858422C55493867 @default.
- W2942858422 hasConceptScore W2942858422C71240020 @default.
- W2942858422 hasLocation W29428584221 @default.
- W2942858422 hasOpenAccess W2942858422 @default.
- W2942858422 hasPrimaryLocation W29428584221 @default.
- W2942858422 hasRelatedWork W1996140555 @default.
- W2942858422 hasRelatedWork W1997814235 @default.
- W2942858422 hasRelatedWork W2085061074 @default.
- W2942858422 hasRelatedWork W2324536977 @default.
- W2942858422 hasRelatedWork W2330215216 @default.
- W2942858422 hasRelatedWork W2399078087 @default.
- W2942858422 hasRelatedWork W2406419293 @default.
- W2942858422 hasRelatedWork W2604826415 @default.
- W2942858422 hasRelatedWork W2949312291 @default.
- W2942858422 hasRelatedWork W2563769714 @default.
- W2942858422 hasVolume "1192" @default.
- W2942858422 isParatext "false" @default.
- W2942858422 isRetracted "false" @default.
- W2942858422 magId "2942858422" @default.
- W2942858422 workType "article" @default.