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   structural chemistry and anti-inflammatory activity of flexible/restricted phenyl dimers  
   
نویسنده singh ved prakash ,dowarah jayanta ,tewari ashish kumar ,geiger david k.
منبع journal of the iranian chemical society - 2020 - دوره : 17 - شماره : 6 - صفحه:1289 -1303
چکیده    Three phenyl dimer compounds, namely 3,3′-diformyldiphenoxyethane (c16h14o4) (1), 1-(4-[2-(4-acetyl-phenoxy)-ethoxy]-phenyl)-ethanone (c17h16n2o3) (2), 1-{4-[2-(4-acetyl-phenoxymethyl)-benzyloxy]-phenyl}-ethanone (c24h22o4) (3), were obtained and fully characterized, including their crystal structure determinations. the structural properties of two compounds 4, 4′-(ethylenedioxy)dibenzaldehyde) (c16h14o4) (tewari et al. acta cryst. e63:o1930, 2007) [1] (4) and 4-(2-phenoxy-ethoxy)-benzaldehyde (c15h14o3) (valgera et al. ccdc 710835, 2016) [2] (5) are discussed with the role of the substituent in crystal packing. in vivo, anti-inflammatory activities of all compounds were studied on wistar strain albino rats. all the compounds exhibited anti-inflammatory activity except 5. compounds 1, 2, 4 have shown moderate-to-intermediate effects on inhibitory properties. compound (3) with restricted rotation in the compound-like sc-558 drug was shown to possess good inhibitory properties at 180 min. in silico analysis was performed and compared with experimental in vivo results.
کلیدواژه weak interactions ,anti-inflammatory activity ,docking ,interaction energy
آدرس mizoram university, school of physical sciences, department of chemistry, india, mizoram university, school of physical sciences, department of chemistry, india, banaras hindu university, institute of science, department of chemistry, india, state university of new york, college of genesco, department of chemistry, usa
 
     
   
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