FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2002074512> ?p ?o ?g. }

• W2002074512 endingPage "435" @default.
• W2002074512 startingPage "425" @default.
• W2002074512 abstract "Gold (III)-N,N-dimethyldithiocarbamate [DMDT(Au)X2] complexes have recently gained increasing attention as potential anticancer agents because of their strong tumor cell growth–inhibitory effects, generally achieved by exploiting non-cisplatin-like mechanisms of action. The goal of our research work is to encapsulate the gold(III) dimethyldithiocarbamate complexes as anticancer with cucurbit[n]urils (CB[n = 5, 6]) by accurate calculations, to predict the inclusion complex formation of gold(III) species with cucurbiturils (CB[n = 5, 6]). The calculations were carried out just for the 1:1 stoichiometric complexes. Upon encapsulation, binding energy, thermodynamic parameters, structural parameters and electronic structures of complexes are investigated. The results of the thermodynamic calculations and the binding energy show that the inclusion process is exothermic and the CB[6]/[DMDT(Au)Br2] complex is more stable than other complexes. The final geometry of CB[n]/drugs indicates that the drugs were expelled from the cavity of CB[n]. NBO calculations reveal that the hydrogen bonding between CB[n] and drugs and electrostatic interactions are the major factors contributing to the overall stabilities of the complexes." @default.
• W2002074512 created "2016-06-24" @default.
• W2002074512 creator A5038180950 @default.
• W2002074512 creator A5087576042 @default.
• W2002074512 date "2014-09-01" @default.
• W2002074512 modified "2023-09-25" @default.
• W2002074512 title "Theoretical investigation of inclusion complex formation of Gold (III) – Dimethyldithiocarbamate anticancer agents with cucurbit[n=5,6]urils" @default.
• W2002074512 cites W1977273253 @default.
• W2002074512 cites W1980326906 @default.
• W2002074512 cites W1987551370 @default.
• W2002074512 cites W1989466994 @default.
• W2002074512 cites W1996256235 @default.
• W2002074512 cites W2000415879 @default.
• W2002074512 cites W2002889963 @default.
• W2002074512 cites W2008708918 @default.
• W2002074512 cites W2009458392 @default.
• W2002074512 cites W2012521191 @default.
• W2002074512 cites W2014044312 @default.
• W2002074512 cites W2017526681 @default.
• W2002074512 cites W2017582063 @default.
• W2002074512 cites W2017688478 @default.
• W2002074512 cites W2022148362 @default.
• W2002074512 cites W2027338326 @default.
• W2002074512 cites W2029099976 @default.
• W2002074512 cites W2030082437 @default.
• W2002074512 cites W2033420599 @default.
• W2002074512 cites W2036503595 @default.
• W2002074512 cites W2037714518 @default.
• W2002074512 cites W2038471787 @default.
• W2002074512 cites W2039901840 @default.
• W2002074512 cites W2040461080 @default.
• W2002074512 cites W2043672286 @default.
• W2002074512 cites W2044202126 @default.
• W2002074512 cites W2046393017 @default.
• W2002074512 cites W2046487502 @default.
• W2002074512 cites W2049022039 @default.
• W2002074512 cites W2053548198 @default.
• W2002074512 cites W2054177724 @default.
• W2002074512 cites W2058323461 @default.
• W2002074512 cites W2068559689 @default.
• W2002074512 cites W2090624794 @default.
• W2002074512 cites W2090690504 @default.
• W2002074512 cites W2093699612 @default.
• W2002074512 cites W2139902274 @default.
• W2002074512 cites W2144927296 @default.
• W2002074512 cites W2171592862 @default.
• W2002074512 cites W4231649355 @default.
• W2002074512 cites W4240464312 @default.
• W2002074512 cites W4247804542 @default.
• W2002074512 doi "https://doi.org/10.1016/j.arabjc.2013.02.012" @default.
• W2002074512 hasPublicationYear "2014" @default.
• W2002074512 type Work @default.
• W2002074512 sameAs 2002074512 @default.
• W2002074512 citedByCount "7" @default.
• W2002074512 countsByYear W20020745122014 @default.
• W2002074512 countsByYear W20020745122015 @default.
• W2002074512 countsByYear W20020745122016 @default.
• W2002074512 countsByYear W20020745122017 @default.
• W2002074512 countsByYear W20020745122020 @default.
• W2002074512 crossrefType "journal-article" @default.
• W2002074512 hasAuthorship W2002074512A5038180950 @default.
• W2002074512 hasAuthorship W2002074512A5087576042 @default.
• W2002074512 hasBestOaLocation W20020745121 @default.
• W2002074512 hasConcept C115624301 @default.
• W2002074512 hasConcept C130188946 @default.
• W2002074512 hasConcept C144082473 @default.
• W2002074512 hasConcept C147597530 @default.
• W2002074512 hasConcept C147789679 @default.
• W2002074512 hasConcept C152365726 @default.
• W2002074512 hasConcept C178790620 @default.
• W2002074512 hasConcept C185592680 @default.
• W2002074512 hasConcept C21951064 @default.
• W2002074512 hasConcept C45119746 @default.
• W2002074512 hasConcept C71240020 @default.
• W2002074512 hasConcept C8010536 @default.
• W2002074512 hasConcept C83730648 @default.
• W2002074512 hasConcept C93275456 @default.
• W2002074512 hasConceptScore W2002074512C115624301 @default.
• W2002074512 hasConceptScore W2002074512C130188946 @default.
• W2002074512 hasConceptScore W2002074512C144082473 @default.
• W2002074512 hasConceptScore W2002074512C147597530 @default.
• W2002074512 hasConceptScore W2002074512C147789679 @default.
• W2002074512 hasConceptScore W2002074512C152365726 @default.
• W2002074512 hasConceptScore W2002074512C178790620 @default.
• W2002074512 hasConceptScore W2002074512C185592680 @default.
• W2002074512 hasConceptScore W2002074512C21951064 @default.
• W2002074512 hasConceptScore W2002074512C45119746 @default.
• W2002074512 hasConceptScore W2002074512C71240020 @default.
• W2002074512 hasConceptScore W2002074512C8010536 @default.
• W2002074512 hasConceptScore W2002074512C83730648 @default.
• W2002074512 hasConceptScore W2002074512C93275456 @default.
• W2002074512 hasIssue "4" @default.
• W2002074512 hasLocation W20020745121 @default.
• W2002074512 hasLocation W20020745122 @default.
• W2002074512 hasOpenAccess W2002074512 @default.
• W2002074512 hasPrimaryLocation W20020745121 @default.
• W2002074512 hasRelatedWork W2006568020 @default.
• W2002074512 hasRelatedWork W2033936520 @default.

• next