Matches in SemOpenAlex for { <https://semopenalex.org/work/W4220793587> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W4220793587 abstract "Most toxoplasmosis-infected people do not manifest any symptoms, however, it may cause serious complications for some individuals. Nuclear technology can be used to develop the detection technique of toxoplasmosis infection and bioactivity analysis of drugs, by adding radioisotope as a tracer. The selection of radioisotope type and reaction mechanism should be correct to minimize interaction shift as a consequence of the radiolabeling process. In this research, interactions between Toxoplasma gondii TS-DHFR receptor with radiolabeled compounds based on pyrimethamine and sulfadiazine were determined by molecular docking using Autodock 4. Predicted structures of radiolabeled compounds shown good affinities to the binding pocket of the TS-DHFR receptor (PDB ID: 6aog). Radiohalide compounds such as 18F and 124I have similar affinity and interaction properties with pyrimethamine or sulfadiazine itself on the TS-DHFR receptor. Technetium- based radiolabeled compounds Tc(O)(CP6)2, Tc(CO)3(H2O)CP6, Tc(O)(sdz)2, and Tc(CO)3(H2O)sdz showed extra contact with receptor due to their size. The use of Tc-oxo core/ [TcO]3+ with two bidentate ligands is less preferred than Tc-carbonyl core/ [Tc(CO)3]+. Introducing a bifunctional chelator on technetium provided a better result. Thus, several radiolabeled compounds in this study are potential to be synthesized and tested for physicochemical properties, stability, and bioactivity at the laboratory in further research." @default.
- W4220793587 created "2022-04-03" @default.
- W4220793587 creator A5031856244 @default.
- W4220793587 creator A5048729853 @default.
- W4220793587 creator A5060764753 @default.
- W4220793587 creator A5077036781 @default.
- W4220793587 date "2022-01-01" @default.
- W4220793587 modified "2023-09-28" @default.
- W4220793587 title "Computational simulations of radiolabeled compounds on toxoplasma gondii TS-DHFR using Autodock 4" @default.
- W4220793587 cites W2040996746 @default.
- W4220793587 cites W2069309685 @default.
- W4220793587 cites W2105668062 @default.
- W4220793587 cites W2134967712 @default.
- W4220793587 cites W2167181696 @default.
- W4220793587 cites W2323389052 @default.
- W4220793587 cites W2555838012 @default.
- W4220793587 cites W2567231876 @default.
- W4220793587 cites W2591839032 @default.
- W4220793587 cites W2949151543 @default.
- W4220793587 cites W2951130993 @default.
- W4220793587 cites W2969598417 @default.
- W4220793587 cites W2982183600 @default.
- W4220793587 cites W2996865443 @default.
- W4220793587 cites W3012684614 @default.
- W4220793587 cites W3017004141 @default.
- W4220793587 cites W3040343933 @default.
- W4220793587 cites W4250058337 @default.
- W4220793587 cites W985729439 @default.
- W4220793587 doi "https://doi.org/10.1063/5.0072409" @default.
- W4220793587 hasPublicationYear "2022" @default.
- W4220793587 type Work @default.
- W4220793587 citedByCount "0" @default.
- W4220793587 crossrefType "proceedings-article" @default.
- W4220793587 hasAuthorship W4220793587A5031856244 @default.
- W4220793587 hasAuthorship W4220793587A5048729853 @default.
- W4220793587 hasAuthorship W4220793587A5060764753 @default.
- W4220793587 hasAuthorship W4220793587A5077036781 @default.
- W4220793587 hasConcept C104317684 @default.
- W4220793587 hasConcept C159110408 @default.
- W4220793587 hasConcept C159654299 @default.
- W4220793587 hasConcept C185592680 @default.
- W4220793587 hasConcept C203014093 @default.
- W4220793587 hasConcept C21951064 @default.
- W4220793587 hasConcept C23963754 @default.
- W4220793587 hasConcept C2775905019 @default.
- W4220793587 hasConcept C2777035104 @default.
- W4220793587 hasConcept C2778048844 @default.
- W4220793587 hasConcept C2778128430 @default.
- W4220793587 hasConcept C2778269047 @default.
- W4220793587 hasConcept C2778371730 @default.
- W4220793587 hasConcept C2780152424 @default.
- W4220793587 hasConcept C41685203 @default.
- W4220793587 hasConcept C501593827 @default.
- W4220793587 hasConcept C55493867 @default.
- W4220793587 hasConcept C71924100 @default.
- W4220793587 hasConcept C86803240 @default.
- W4220793587 hasConceptScore W4220793587C104317684 @default.
- W4220793587 hasConceptScore W4220793587C159110408 @default.
- W4220793587 hasConceptScore W4220793587C159654299 @default.
- W4220793587 hasConceptScore W4220793587C185592680 @default.
- W4220793587 hasConceptScore W4220793587C203014093 @default.
- W4220793587 hasConceptScore W4220793587C21951064 @default.
- W4220793587 hasConceptScore W4220793587C23963754 @default.
- W4220793587 hasConceptScore W4220793587C2775905019 @default.
- W4220793587 hasConceptScore W4220793587C2777035104 @default.
- W4220793587 hasConceptScore W4220793587C2778048844 @default.
- W4220793587 hasConceptScore W4220793587C2778128430 @default.
- W4220793587 hasConceptScore W4220793587C2778269047 @default.
- W4220793587 hasConceptScore W4220793587C2778371730 @default.
- W4220793587 hasConceptScore W4220793587C2780152424 @default.
- W4220793587 hasConceptScore W4220793587C41685203 @default.
- W4220793587 hasConceptScore W4220793587C501593827 @default.
- W4220793587 hasConceptScore W4220793587C55493867 @default.
- W4220793587 hasConceptScore W4220793587C71924100 @default.
- W4220793587 hasConceptScore W4220793587C86803240 @default.
- W4220793587 hasLocation W42207935871 @default.
- W4220793587 hasOpenAccess W4220793587 @default.
- W4220793587 hasPrimaryLocation W42207935871 @default.
- W4220793587 hasRelatedWork W1976433023 @default.
- W4220793587 hasRelatedWork W2125844232 @default.
- W4220793587 hasRelatedWork W2146861732 @default.
- W4220793587 hasRelatedWork W2151871917 @default.
- W4220793587 hasRelatedWork W2161830795 @default.
- W4220793587 hasRelatedWork W2163608347 @default.
- W4220793587 hasRelatedWork W2293171127 @default.
- W4220793587 hasRelatedWork W2327903814 @default.
- W4220793587 hasRelatedWork W2338582275 @default.
- W4220793587 hasRelatedWork W2903945500 @default.
- W4220793587 isParatext "false" @default.
- W4220793587 isRetracted "false" @default.
- W4220793587 workType "article" @default.