Crystal structure and conformational analysis of doxorubicin nitrate

被引：5
作者：
Mathivathanan, Logesh [1 ,2 ]
Yang, Guang [1 ,2 ,3 ]
Leng, Fenfei [1 ,2 ]
Raptis, Raphael G. [1 ,2 ]
机构：
[1] Florida Int Univ, Dept Chem & Biochem, 11200 SW 8th St, Miami, FL 33199 USA
[2] Florida Int Univ, Biomol Sci Inst, 11200 SW 8th St, Miami, FL 33199 USA
[3] Zhengzhou Univ, Coll Chem & Mol Engn, Zhengzhou 450001, Henan, Peoples R China
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2018年 / 74卷
关键词：
doxorubicin; anthracycline; conformation; intercalation; crystal structure;
D O I：
10.1107/S2056989018002955
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
Crystal structure determination of doxorubicin nitrate, (DoxH)NO3, systematic name (7S,9S)-7-R2R,4S,5S,6S)-4-ammonium-5-hydroxy-6-methyloxan-2-y11 oxy6,9,11-trihydroxy-9- (2-hydroxyacety1)-4-methoxy-8,10-dihydro-7H-tetracen5,12-dione nitrate, shows two formula units present in the asymmetric unit. In the crystal lattice, hydrogen-bonded pairs of (DoxH(+)) cations and segregation of the aglycone and sugar moieties are observed. Inspection of molecular overlays reveals that the conformation of (DoxH)NO3 resembles that of DNA intercalated, but not of protein-docked (DoxH)(+). The structure was refined as a two-component twin.
引用
收藏
页码：400 / +
页数：17
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