Matches in SemOpenAlex for { <https://semopenalex.org/work/W2980778344> ?p ?o ?g. }
- W2980778344 endingPage "117663" @default.
- W2980778344 startingPage "117663" @default.
- W2980778344 abstract "In this study, six pyrazole derivatives containing hetero atoms have been analyzed using theoretical calculation method. The ligands were tested by HF, B3LYP and M06-2X methods using 3-21G, 6-31G, 6-31G(d, p), and sdd basis sets. The results showed that Ligand 5 has a HOMO value of -7.470 at HF / 6-31g (d.p) level. These ligands were investigated in IR, NMR, and UV-VIS spectrum, then experimental values were compared with IR and NMR spectrum data. The solvents, whose effects were investigated in UV-VIS spectrum, were gas phase (ε = 1), toluene (ε = 2.3741), chloroform (ε = 4.7113), methanol (ε = 32.613), water (ε = 78.3553), and n-methylformamide-mixture (ε = 181.56). Metal complexes of tested ligands were produced with copper, nickel, and zinc. Lastly, the interactions between these six pyrazole derivatives and three proteins, namely 3dju, 2IJN, and 1JNX, were also examined. Biological and anti-cancer properties of six pyrazole derivatives were analyzed by DockingServer. In docking calculations, Estimated Free Energy of Binding value of Ligand 5 was found to be -4.87, -4.82, -1.73 respectively, which indicated the highest biological activity." @default.
- W2980778344 created "2019-10-25" @default.
- W2980778344 creator A5013735567 @default.
- W2980778344 date "2020-02-01" @default.
- W2980778344 modified "2023-10-16" @default.
- W2980778344 title "Investi̇gati̇on of pyrazoly derivatives schi̇ff base li̇gands and thei̇r metal complexes used as anti-cancer drug" @default.
- W2980778344 cites W1747895983 @default.
- W2980778344 cites W1965681158 @default.
- W2980778344 cites W1968349784 @default.
- W2980778344 cites W1968778126 @default.
- W2980778344 cites W1996533547 @default.
- W2980778344 cites W2001014236 @default.
- W2980778344 cites W2008814729 @default.
- W2980778344 cites W2030998522 @default.
- W2980778344 cites W2041308886 @default.
- W2980778344 cites W2070485363 @default.
- W2980778344 cites W2075787261 @default.
- W2980778344 cites W2123450981 @default.
- W2980778344 cites W2127395941 @default.
- W2980778344 cites W2129094690 @default.
- W2980778344 cites W2129556489 @default.
- W2980778344 cites W2143981217 @default.
- W2980778344 cites W2152482299 @default.
- W2980778344 cites W2155758517 @default.
- W2980778344 cites W2239621362 @default.
- W2980778344 cites W2286449072 @default.
- W2980778344 cites W2312696954 @default.
- W2980778344 cites W2328486304 @default.
- W2980778344 cites W2331827140 @default.
- W2980778344 cites W2413125488 @default.
- W2980778344 cites W2414238452 @default.
- W2980778344 cites W2487645534 @default.
- W2980778344 cites W2492146416 @default.
- W2980778344 cites W2598787247 @default.
- W2980778344 cites W2604293326 @default.
- W2980778344 cites W2605474943 @default.
- W2980778344 cites W2620953103 @default.
- W2980778344 cites W2742030011 @default.
- W2980778344 cites W2758781090 @default.
- W2980778344 cites W2773098746 @default.
- W2980778344 cites W2789416967 @default.
- W2980778344 cites W2790275609 @default.
- W2980778344 cites W2793790325 @default.
- W2980778344 cites W2800489326 @default.
- W2980778344 cites W2800799439 @default.
- W2980778344 cites W2805000042 @default.
- W2980778344 cites W2810181891 @default.
- W2980778344 cites W2891179642 @default.
- W2980778344 cites W2895399929 @default.
- W2980778344 cites W2900696565 @default.
- W2980778344 cites W2901553097 @default.
- W2980778344 cites W2901885823 @default.
- W2980778344 cites W2903053475 @default.
- W2980778344 cites W2906596383 @default.
- W2980778344 cites W2907667058 @default.
- W2980778344 cites W2912451198 @default.
- W2980778344 cites W2945169689 @default.
- W2980778344 cites W2955367458 @default.
- W2980778344 cites W2972577944 @default.
- W2980778344 cites W2976332867 @default.
- W2980778344 doi "https://doi.org/10.1016/j.saa.2019.117663" @default.
- W2980778344 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31655391" @default.
- W2980778344 hasPublicationYear "2020" @default.
- W2980778344 type Work @default.
- W2980778344 sameAs 2980778344 @default.
- W2980778344 citedByCount "26" @default.
- W2980778344 countsByYear W29807783442020 @default.
- W2980778344 countsByYear W29807783442021 @default.
- W2980778344 countsByYear W29807783442022 @default.
- W2980778344 countsByYear W29807783442023 @default.
- W2980778344 crossrefType "journal-article" @default.
- W2980778344 hasAuthorship W2980778344A5013735567 @default.
- W2980778344 hasConcept C103319777 @default.
- W2980778344 hasConcept C116569031 @default.
- W2980778344 hasConcept C13965031 @default.
- W2980778344 hasConcept C147789679 @default.
- W2980778344 hasConcept C153642686 @default.
- W2980778344 hasConcept C163111631 @default.
- W2980778344 hasConcept C170493617 @default.
- W2980778344 hasConcept C178790620 @default.
- W2980778344 hasConcept C185592680 @default.
- W2980778344 hasConcept C2777682936 @default.
- W2980778344 hasConcept C2778142098 @default.
- W2980778344 hasConcept C2779607525 @default.
- W2980778344 hasConcept C2781144210 @default.
- W2980778344 hasConcept C544153396 @default.
- W2980778344 hasConcept C55493867 @default.
- W2980778344 hasConcept C71240020 @default.
- W2980778344 hasConceptScore W2980778344C103319777 @default.
- W2980778344 hasConceptScore W2980778344C116569031 @default.
- W2980778344 hasConceptScore W2980778344C13965031 @default.
- W2980778344 hasConceptScore W2980778344C147789679 @default.
- W2980778344 hasConceptScore W2980778344C153642686 @default.
- W2980778344 hasConceptScore W2980778344C163111631 @default.
- W2980778344 hasConceptScore W2980778344C170493617 @default.
- W2980778344 hasConceptScore W2980778344C178790620 @default.
- W2980778344 hasConceptScore W2980778344C185592680 @default.
- W2980778344 hasConceptScore W2980778344C2777682936 @default.