Matches in SemOpenAlex for { <https://semopenalex.org/work/W2804449354> ?p ?o ?g. }
- W2804449354 endingPage "160" @default.
- W2804449354 startingPage "151" @default.
- W2804449354 abstract "A series of novel 1,3,4-oxadiazole-2-thione derivatives were designed, synthesized and evaluated for in vitro anticancer activity against breast cancer (MCF-7) cell line and thymidine phosphorylase. The synthesis of target compounds was performed by cyclization reaction using aromatic amines and carbon disulphide to get mannich bases. The synthesized compound 2j exhibited the most potent anticancer activity against MCF-7 cell line. Compounds 2d, 2j, 2o and 2h showed potent thymidine phosphorylase inhibitory activity. The SAR study revealed that the substitution of phenyl ring with electron withdrawing group at R1 position and less bulky amines group at R2 position of 1,3,4-oxadiazole-2-thione ring showed significant growth inhibitory activity. Further in silico ADMET properties of synthesized compounds were calculated along with molecular docking to study the binding mode of the compounds in the active site of thymidine phosphorylase (TP). The molecular docking studies showed that amines group have good binding interaction on active site residues of TP such as compounds 2j and 2o exhibited hydrogen bond interaction with amino acid residues GLY152, THR151 and HIS116 of thymidine phosphorylase (PDB ID: 1UOU). The result of biological activity and docking study revealed that amines group at R2 point of 1,3,4-oxadiazole-2-thione moiety is essential for anticancer activity." @default.
- W2804449354 created "2018-06-01" @default.
- W2804449354 creator A5036693996 @default.
- W2804449354 creator A5054062247 @default.
- W2804449354 creator A5075409072 @default.
- W2804449354 date "2018-10-01" @default.
- W2804449354 modified "2023-10-14" @default.
- W2804449354 title "Synthesis, thymidine phosphorylase inhibitory and computational study of novel 1,3,4-oxadiazole-2-thione derivatives as potential anticancer agents" @default.
- W2804449354 cites W1973129042 @default.
- W2804449354 cites W1973873156 @default.
- W2804449354 cites W1981895661 @default.
- W2804449354 cites W1982772707 @default.
- W2804449354 cites W1983450964 @default.
- W2804449354 cites W1994915216 @default.
- W2804449354 cites W1997719793 @default.
- W2804449354 cites W1998949763 @default.
- W2804449354 cites W2012668925 @default.
- W2804449354 cites W2027081836 @default.
- W2804449354 cites W2027542963 @default.
- W2804449354 cites W2032229004 @default.
- W2804449354 cites W2055218751 @default.
- W2804449354 cites W2057966202 @default.
- W2804449354 cites W2061568525 @default.
- W2804449354 cites W2062378498 @default.
- W2804449354 cites W2063647513 @default.
- W2804449354 cites W2070061090 @default.
- W2804449354 cites W2077603270 @default.
- W2804449354 cites W2080447388 @default.
- W2804449354 cites W2085328261 @default.
- W2804449354 cites W2088866688 @default.
- W2804449354 cites W2089387574 @default.
- W2804449354 cites W2115957530 @default.
- W2804449354 cites W2118362719 @default.
- W2804449354 cites W2118726621 @default.
- W2804449354 cites W2129821780 @default.
- W2804449354 cites W2135732933 @default.
- W2804449354 cites W2159699022 @default.
- W2804449354 cites W2160310346 @default.
- W2804449354 cites W2164111876 @default.
- W2804449354 cites W2219719639 @default.
- W2804449354 cites W2225854093 @default.
- W2804449354 cites W2560353606 @default.
- W2804449354 cites W2580165296 @default.
- W2804449354 cites W2600448715 @default.
- W2804449354 cites W2737953027 @default.
- W2804449354 cites W2771585836 @default.
- W2804449354 doi "https://doi.org/10.1016/j.compbiolchem.2018.05.013" @default.
- W2804449354 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30015176" @default.
- W2804449354 hasPublicationYear "2018" @default.
- W2804449354 type Work @default.
- W2804449354 sameAs 2804449354 @default.
- W2804449354 citedByCount "27" @default.
- W2804449354 countsByYear W28044493542018 @default.
- W2804449354 countsByYear W28044493542019 @default.
- W2804449354 countsByYear W28044493542020 @default.
- W2804449354 countsByYear W28044493542021 @default.
- W2804449354 countsByYear W28044493542022 @default.
- W2804449354 countsByYear W28044493542023 @default.
- W2804449354 crossrefType "journal-article" @default.
- W2804449354 hasAuthorship W2804449354A5036693996 @default.
- W2804449354 hasAuthorship W2804449354A5054062247 @default.
- W2804449354 hasAuthorship W2804449354A5075409072 @default.
- W2804449354 hasConcept C159110408 @default.
- W2804449354 hasConcept C178790620 @default.
- W2804449354 hasConcept C181199279 @default.
- W2804449354 hasConcept C185592680 @default.
- W2804449354 hasConcept C202751555 @default.
- W2804449354 hasConcept C2776568683 @default.
- W2804449354 hasConcept C2776735402 @default.
- W2804449354 hasConcept C2777108182 @default.
- W2804449354 hasConcept C2779448499 @default.
- W2804449354 hasConcept C41183919 @default.
- W2804449354 hasConcept C41685203 @default.
- W2804449354 hasConcept C55493867 @default.
- W2804449354 hasConcept C65556437 @default.
- W2804449354 hasConcept C71240020 @default.
- W2804449354 hasConcept C71924100 @default.
- W2804449354 hasConceptScore W2804449354C159110408 @default.
- W2804449354 hasConceptScore W2804449354C178790620 @default.
- W2804449354 hasConceptScore W2804449354C181199279 @default.
- W2804449354 hasConceptScore W2804449354C185592680 @default.
- W2804449354 hasConceptScore W2804449354C202751555 @default.
- W2804449354 hasConceptScore W2804449354C2776568683 @default.
- W2804449354 hasConceptScore W2804449354C2776735402 @default.
- W2804449354 hasConceptScore W2804449354C2777108182 @default.
- W2804449354 hasConceptScore W2804449354C2779448499 @default.
- W2804449354 hasConceptScore W2804449354C41183919 @default.
- W2804449354 hasConceptScore W2804449354C41685203 @default.
- W2804449354 hasConceptScore W2804449354C55493867 @default.
- W2804449354 hasConceptScore W2804449354C65556437 @default.
- W2804449354 hasConceptScore W2804449354C71240020 @default.
- W2804449354 hasConceptScore W2804449354C71924100 @default.
- W2804449354 hasLocation W28044493541 @default.
- W2804449354 hasLocation W28044493542 @default.
- W2804449354 hasOpenAccess W2804449354 @default.
- W2804449354 hasPrimaryLocation W28044493541 @default.
- W2804449354 hasRelatedWork W2058374135 @default.
- W2804449354 hasRelatedWork W2061568525 @default.