Matches in SemOpenAlex for { <https://semopenalex.org/work/W4319163178> ?p ?o ?g. }
- W4319163178 endingPage "104711" @default.
- W4319163178 startingPage "104711" @default.
- W4319163178 abstract "Phytoene dehydrogenase (PDS) and p-hydroxyphenylpyruvate dioxygenase (HPPD) are two important herbicides targets in photosynthesis. If inhibiting the activity of double target enzymes, the synthesis of carotenoids and plastoquinones is blocked and leads to albinism and death of weeds. HPPD and PDS dual-target pharmacophores based on molecular common features were constructed to obtain the intersected compounds through virtual screening. Compound with good predict activity (ZINC000511042115) was imported into AILDE for optimization to generate 15 new inhibitors, and molecular docking was performed to identify the interaction with key residues in the active site. The docking results of 15 compounds were all better than the native ligand in HPPD protein and were at the same level as norflurazon in PDS protein. Five possible dual-target inhibitors were obtained by virtual screening and activity prediction. The present work provides powerful insights into the development of novel dual-target inhibitor herbicides with computational techniques." @default.
- W4319163178 created "2023-02-04" @default.
- W4319163178 creator A5013706761 @default.
- W4319163178 creator A5021653937 @default.
- W4319163178 creator A5024385167 @default.
- W4319163178 creator A5029877998 @default.
- W4319163178 creator A5031436437 @default.
- W4319163178 creator A5060684356 @default.
- W4319163178 creator A5068132067 @default.
- W4319163178 creator A5071222102 @default.
- W4319163178 date "2023-02-01" @default.
- W4319163178 modified "2023-10-16" @default.
- W4319163178 title "In silico approach of novel HPPD/PDS dual target inhibitors by pharmacophore, AILDE and molecular docking" @default.
- W4319163178 cites W1485382552 @default.
- W4319163178 cites W1499346439 @default.
- W4319163178 cites W1973470244 @default.
- W4319163178 cites W1984229505 @default.
- W4319163178 cites W2019375580 @default.
- W4319163178 cites W2049857410 @default.
- W4319163178 cites W2052803508 @default.
- W4319163178 cites W2053528435 @default.
- W4319163178 cites W2054157673 @default.
- W4319163178 cites W2107997824 @default.
- W4319163178 cites W2154584286 @default.
- W4319163178 cites W2183418069 @default.
- W4319163178 cites W2327664374 @default.
- W4319163178 cites W2534284564 @default.
- W4319163178 cites W2580134572 @default.
- W4319163178 cites W2592191530 @default.
- W4319163178 cites W2729683293 @default.
- W4319163178 cites W2744997844 @default.
- W4319163178 cites W2755345273 @default.
- W4319163178 cites W2790363461 @default.
- W4319163178 cites W2913829531 @default.
- W4319163178 cites W2947947601 @default.
- W4319163178 cites W2962938003 @default.
- W4319163178 cites W2963648586 @default.
- W4319163178 cites W2969526619 @default.
- W4319163178 cites W2972896126 @default.
- W4319163178 cites W2980289225 @default.
- W4319163178 cites W2999460243 @default.
- W4319163178 cites W3012320348 @default.
- W4319163178 cites W3046654061 @default.
- W4319163178 cites W3089293756 @default.
- W4319163178 cites W3101372760 @default.
- W4319163178 cites W3107460307 @default.
- W4319163178 cites W3113764084 @default.
- W4319163178 cites W3123842527 @default.
- W4319163178 cites W3124059974 @default.
- W4319163178 cites W3125602145 @default.
- W4319163178 cites W3167137188 @default.
- W4319163178 cites W3177828909 @default.
- W4319163178 cites W3179895065 @default.
- W4319163178 cites W3185286829 @default.
- W4319163178 cites W3185676946 @default.
- W4319163178 cites W3187862435 @default.
- W4319163178 cites W3196217074 @default.
- W4319163178 cites W3207415891 @default.
- W4319163178 cites W3208115201 @default.
- W4319163178 cites W3211635652 @default.
- W4319163178 cites W4200349467 @default.
- W4319163178 cites W4211017926 @default.
- W4319163178 cites W4213296043 @default.
- W4319163178 cites W4220817654 @default.
- W4319163178 cites W4224222038 @default.
- W4319163178 cites W4225003137 @default.
- W4319163178 cites W4313442906 @default.
- W4319163178 doi "https://doi.org/10.1016/j.jtice.2023.104711" @default.
- W4319163178 hasPublicationYear "2023" @default.
- W4319163178 type Work @default.
- W4319163178 citedByCount "1" @default.
- W4319163178 countsByYear W43191631782023 @default.
- W4319163178 crossrefType "journal-article" @default.
- W4319163178 hasAuthorship W4319163178A5013706761 @default.
- W4319163178 hasAuthorship W4319163178A5021653937 @default.
- W4319163178 hasAuthorship W4319163178A5024385167 @default.
- W4319163178 hasAuthorship W4319163178A5029877998 @default.
- W4319163178 hasAuthorship W4319163178A5031436437 @default.
- W4319163178 hasAuthorship W4319163178A5060684356 @default.
- W4319163178 hasAuthorship W4319163178A5068132067 @default.
- W4319163178 hasAuthorship W4319163178A5071222102 @default.
- W4319163178 hasConcept C103697762 @default.
- W4319163178 hasConcept C104317684 @default.
- W4319163178 hasConcept C159110408 @default.
- W4319163178 hasConcept C181199279 @default.
- W4319163178 hasConcept C185592680 @default.
- W4319163178 hasConcept C21951064 @default.
- W4319163178 hasConcept C2775905019 @default.
- W4319163178 hasConcept C2780430158 @default.
- W4319163178 hasConcept C41183919 @default.
- W4319163178 hasConcept C41685203 @default.
- W4319163178 hasConcept C55493867 @default.
- W4319163178 hasConcept C56173144 @default.
- W4319163178 hasConcept C70721500 @default.
- W4319163178 hasConcept C71240020 @default.
- W4319163178 hasConcept C71924100 @default.
- W4319163178 hasConcept C86803240 @default.
- W4319163178 hasConceptScore W4319163178C103697762 @default.