Matches in SemOpenAlex for { <https://semopenalex.org/work/W2073987241> ?p ?o ?g. }
- W2073987241 endingPage "78" @default.
- W2073987241 startingPage "65" @default.
- W2073987241 abstract "In this work, the topology of the electronic charge density is applied to study the hydrogen bonds for all compounds analogues of the nucleosides derivatives of the AZT (denoted 1) with X=CH3, and its derivatives substituted in C5 with X=–H (2), –F (3), –Br (4), –OH (5), –OCH3 (6), –NH2 (7), –CF3 (8), –SCN (9), –CHO (10) and –COOH (11) in the anti conformation. These calculations were carried out, using the Theory of Atoms in Molecules (AIM). Finally calculations in other derivatives of AZT such as 3′-N3-FMAU (12) and its isostere 3′-N3-C-FMAU compound (13) in syn and anti conformations at RHF/6-311++G**//3-21G were included. Comparing the results obtained in all the nucleosides derivatives studied here with the ones results in both conformations of 3′-N3-C-FMAU, 13, biologically inactive compound, allows us to know the characteristic of the intramolecular hydrogen bonds in nucleoside analogues derivatives of AZT in greater detail and relate them to the conformational and stereo-electronics requirements necessary to produce the biological activity." @default.
- W2073987241 created "2016-06-24" @default.
- W2073987241 creator A5004356079 @default.
- W2073987241 creator A5030518939 @default.
- W2073987241 creator A5051451753 @default.
- W2073987241 creator A5056119529 @default.
- W2073987241 date "2005-05-01" @default.
- W2073987241 modified "2023-09-28" @default.
- W2073987241 title "Topological analysis of the electronic charge density in nucleoside analogues derivatives of the AZT. Effects of X–H⋯O and X–H⋯F intramolecular H-bonds" @default.
- W2073987241 cites W1968506014 @default.
- W2073987241 cites W1969169061 @default.
- W2073987241 cites W1983436447 @default.
- W2073987241 cites W1994041580 @default.
- W2073987241 cites W1995132344 @default.
- W2073987241 cites W1996206901 @default.
- W2073987241 cites W2006846499 @default.
- W2073987241 cites W2012359070 @default.
- W2073987241 cites W2012689397 @default.
- W2073987241 cites W2019449003 @default.
- W2073987241 cites W2041057450 @default.
- W2073987241 cites W2043559087 @default.
- W2073987241 cites W2043880312 @default.
- W2073987241 cites W2051469879 @default.
- W2073987241 cites W2052207974 @default.
- W2073987241 cites W2060820626 @default.
- W2073987241 cites W2069334431 @default.
- W2073987241 cites W2070091923 @default.
- W2073987241 cites W2070794931 @default.
- W2073987241 cites W2071727014 @default.
- W2073987241 cites W2073512708 @default.
- W2073987241 cites W2074518029 @default.
- W2073987241 cites W2074703652 @default.
- W2073987241 cites W2078486605 @default.
- W2073987241 cites W2081504104 @default.
- W2073987241 cites W2082519353 @default.
- W2073987241 cites W2091631203 @default.
- W2073987241 cites W2091765233 @default.
- W2073987241 cites W2121425303 @default.
- W2073987241 cites W2122364616 @default.
- W2073987241 cites W2133674632 @default.
- W2073987241 cites W2169905012 @default.
- W2073987241 cites W2949226536 @default.
- W2073987241 cites W2949413028 @default.
- W2073987241 cites W4246419632 @default.
- W2073987241 cites W4251875681 @default.
- W2073987241 doi "https://doi.org/10.1016/j.theochem.2004.12.039" @default.
- W2073987241 hasPublicationYear "2005" @default.
- W2073987241 type Work @default.
- W2073987241 sameAs 2073987241 @default.
- W2073987241 citedByCount "13" @default.
- W2073987241 countsByYear W20739872412012 @default.
- W2073987241 countsByYear W20739872412013 @default.
- W2073987241 countsByYear W20739872412014 @default.
- W2073987241 crossrefType "journal-article" @default.
- W2073987241 hasAuthorship W2073987241A5004356079 @default.
- W2073987241 hasAuthorship W2073987241A5030518939 @default.
- W2073987241 hasAuthorship W2073987241A5051451753 @default.
- W2073987241 hasAuthorship W2073987241A5056119529 @default.
- W2073987241 hasConcept C112887158 @default.
- W2073987241 hasConcept C114614502 @default.
- W2073987241 hasConcept C147597530 @default.
- W2073987241 hasConcept C152365726 @default.
- W2073987241 hasConcept C178790620 @default.
- W2073987241 hasConcept C180000673 @default.
- W2073987241 hasConcept C184720557 @default.
- W2073987241 hasConcept C185592680 @default.
- W2073987241 hasConcept C2776543447 @default.
- W2073987241 hasConcept C32909587 @default.
- W2073987241 hasConcept C33923547 @default.
- W2073987241 hasConcept C63385615 @default.
- W2073987241 hasConcept C71240020 @default.
- W2073987241 hasConcept C75079739 @default.
- W2073987241 hasConcept C8010536 @default.
- W2073987241 hasConcept C86025842 @default.
- W2073987241 hasConceptScore W2073987241C112887158 @default.
- W2073987241 hasConceptScore W2073987241C114614502 @default.
- W2073987241 hasConceptScore W2073987241C147597530 @default.
- W2073987241 hasConceptScore W2073987241C152365726 @default.
- W2073987241 hasConceptScore W2073987241C178790620 @default.
- W2073987241 hasConceptScore W2073987241C180000673 @default.
- W2073987241 hasConceptScore W2073987241C184720557 @default.
- W2073987241 hasConceptScore W2073987241C185592680 @default.
- W2073987241 hasConceptScore W2073987241C2776543447 @default.
- W2073987241 hasConceptScore W2073987241C32909587 @default.
- W2073987241 hasConceptScore W2073987241C33923547 @default.
- W2073987241 hasConceptScore W2073987241C63385615 @default.
- W2073987241 hasConceptScore W2073987241C71240020 @default.
- W2073987241 hasConceptScore W2073987241C75079739 @default.
- W2073987241 hasConceptScore W2073987241C8010536 @default.
- W2073987241 hasConceptScore W2073987241C86025842 @default.
- W2073987241 hasIssue "1-3" @default.
- W2073987241 hasLocation W20739872411 @default.
- W2073987241 hasOpenAccess W2073987241 @default.
- W2073987241 hasPrimaryLocation W20739872411 @default.
- W2073987241 hasRelatedWork W1950689151 @default.
- W2073987241 hasRelatedWork W2019495378 @default.
- W2073987241 hasRelatedWork W2024080746 @default.
- W2073987241 hasRelatedWork W2047080117 @default.