Matches in SemOpenAlex for { <https://semopenalex.org/work/W3000732005> ?p ?o ?g. }
- W3000732005 endingPage "1606" @default.
- W3000732005 startingPage "1595" @default.
- W3000732005 abstract "Protein Nucleoside Phosphorylase (PNP) is an enzyme, which catalyzes reversible conversion process (ribosylation and phosphorolysis) between nucleobases (purines) and their nucleosides. Experimental studies showed that calf PNP ribosylates purine analogs in specific positions – 2,6-diamino-8-azapurine in positions 7 or 8 and 8-azaguanine in position 9 of the triazole ring. The reason of this phenomena can be a result of different exposition of purine substrates to the channel leading to the binding site. This hypothesis was verified by application of molecular modelling techniques to two complexes of purine analogs 2,6-diamino-azapurine – calf PNP (pdb-code: 1LVU) and 8-azaguanine – calf PNP (pdb-code: 2AI1). The results obtained with combination of quantum chemistry, docking and molecular dynamics methods showed qualitative validity of our hypothesis. Binding free energies of protein-ligand systems showed that most probable binding poses expose N8 nitrogen for 2,6-diamino-8-azapurine and N9 nitrogen for ..." @default.
- W3000732005 created "2020-01-23" @default.
- W3000732005 creator A5023174674 @default.
- W3000732005 creator A5045557882 @default.
- W3000732005 date "2020-01-16" @default.
- W3000732005 modified "2023-09-23" @default.
- W3000732005 title "Why Purine Nucleoside Phosphorylase Ribosylates 2,6-Diamino-8-azapurine in Noncanonical Positions? A Molecular Modeling Study" @default.
- W3000732005 cites W1968984443 @default.
- W3000732005 cites W1972674891 @default.
- W3000732005 cites W1976161355 @default.
- W3000732005 cites W1976499671 @default.
- W3000732005 cites W1980374511 @default.
- W3000732005 cites W1982356449 @default.
- W3000732005 cites W1983425151 @default.
- W3000732005 cites W1998217927 @default.
- W3000732005 cites W2005707506 @default.
- W3000732005 cites W2006732267 @default.
- W3000732005 cites W2008462901 @default.
- W3000732005 cites W2015688756 @default.
- W3000732005 cites W2029381257 @default.
- W3000732005 cites W2032199781 @default.
- W3000732005 cites W2036011280 @default.
- W3000732005 cites W2040195084 @default.
- W3000732005 cites W2047448642 @default.
- W3000732005 cites W2049196621 @default.
- W3000732005 cites W2056728743 @default.
- W3000732005 cites W2065283382 @default.
- W3000732005 cites W2067174909 @default.
- W3000732005 cites W2069006374 @default.
- W3000732005 cites W2072067368 @default.
- W3000732005 cites W2075369230 @default.
- W3000732005 cites W2085393878 @default.
- W3000732005 cites W2094292598 @default.
- W3000732005 cites W2094737452 @default.
- W3000732005 cites W2095474273 @default.
- W3000732005 cites W2095719702 @default.
- W3000732005 cites W2112855704 @default.
- W3000732005 cites W2114520383 @default.
- W3000732005 cites W2117458899 @default.
- W3000732005 cites W2121638813 @default.
- W3000732005 cites W2125744781 @default.
- W3000732005 cites W2132251081 @default.
- W3000732005 cites W2134967712 @default.
- W3000732005 cites W2147993766 @default.
- W3000732005 cites W2159712022 @default.
- W3000732005 cites W2163296787 @default.
- W3000732005 cites W2168240189 @default.
- W3000732005 cites W2169655552 @default.
- W3000732005 cites W2214926429 @default.
- W3000732005 cites W2328519748 @default.
- W3000732005 cites W2404280981 @default.
- W3000732005 cites W2464930014 @default.
- W3000732005 cites W2515356632 @default.
- W3000732005 cites W2783351753 @default.
- W3000732005 cites W2952247865 @default.
- W3000732005 cites W4211196614 @default.
- W3000732005 doi "https://doi.org/10.1021/acs.jcim.9b00985" @default.
- W3000732005 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31944095" @default.
- W3000732005 hasPublicationYear "2020" @default.
- W3000732005 type Work @default.
- W3000732005 sameAs 3000732005 @default.
- W3000732005 citedByCount "3" @default.
- W3000732005 countsByYear W30007320052021 @default.
- W3000732005 countsByYear W30007320052022 @default.
- W3000732005 countsByYear W30007320052023 @default.
- W3000732005 crossrefType "journal-article" @default.
- W3000732005 hasAuthorship W3000732005A5023174674 @default.
- W3000732005 hasAuthorship W3000732005A5045557882 @default.
- W3000732005 hasConcept C181199279 @default.
- W3000732005 hasConcept C185592680 @default.
- W3000732005 hasConcept C2776476023 @default.
- W3000732005 hasConcept C55493867 @default.
- W3000732005 hasConcept C70721500 @default.
- W3000732005 hasConcept C71615608 @default.
- W3000732005 hasConcept C86803240 @default.
- W3000732005 hasConceptScore W3000732005C181199279 @default.
- W3000732005 hasConceptScore W3000732005C185592680 @default.
- W3000732005 hasConceptScore W3000732005C2776476023 @default.
- W3000732005 hasConceptScore W3000732005C55493867 @default.
- W3000732005 hasConceptScore W3000732005C70721500 @default.
- W3000732005 hasConceptScore W3000732005C71615608 @default.
- W3000732005 hasConceptScore W3000732005C86803240 @default.
- W3000732005 hasIssue "3" @default.
- W3000732005 hasLocation W30007320051 @default.
- W3000732005 hasOpenAccess W3000732005 @default.
- W3000732005 hasPrimaryLocation W30007320051 @default.
- W3000732005 hasRelatedWork W114642308 @default.
- W3000732005 hasRelatedWork W138030284 @default.
- W3000732005 hasRelatedWork W1986601230 @default.
- W3000732005 hasRelatedWork W2006285284 @default.
- W3000732005 hasRelatedWork W2008487863 @default.
- W3000732005 hasRelatedWork W2063407455 @default.
- W3000732005 hasRelatedWork W2078837534 @default.
- W3000732005 hasRelatedWork W2338039217 @default.
- W3000732005 hasRelatedWork W3183761420 @default.
- W3000732005 hasRelatedWork W41612098 @default.
- W3000732005 hasVolume "60" @default.
- W3000732005 isParatext "false" @default.