Preparation of yuanhuacine and relative daphne diterpene esters from Daphne genkwa and structure–activity relationship of potent inhibitory activity against DNA topoisomerase I

2006 ◽  
Vol 14 (11) ◽  
pp. 3888-3895 ◽  
Author(s):  
Shixuan Zhang ◽  
Xiaona Li ◽  
Fenghong Zhang ◽  
Puwen Yang ◽  
Xiujuan Gao ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Topoisomerase I ◽  
Activity Relationship ◽  
Dna Topoisomerase I ◽  
Dna Topoisomerase ◽  
Diterpene Esters ◽  
Structure Activity ◽  
Daphne Genkwa ◽  
Relationship Of ◽  
Potent Inhibitory Activity

scholarly journals TAN-1496 A, C and E, diketopiperazine antibiotics with inhibitory activity against mammalian DNA topoisomerase I.

1994 ◽  
Vol 47 (11) ◽  
pp. 1202-1218 ◽  
Author(s):  
YASUNORI FUNABASHI ◽  
TAKASHI HORIGUCHI ◽  
SHIGEMI IINUMA ◽  
SEIICHI TANIDA ◽  
SETSUO HARADA
Keyword(s):  
Inhibitory Activity ◽  
Topoisomerase I ◽  
Dna Topoisomerase I ◽  
Dna Topoisomerase

ChemInform Abstract: New Naphthacenecarboxamide Antibiotics, TAN-1518 A and B, have Inhibitory Activity Against Mammalian DNA Topoisomerase I.

ChemInform ◽  
2010 ◽  
Vol 25 (45) ◽  
pp. no-no
Author(s):  
T. HORIGUCHI ◽  
K. HAYASHI ◽  
S. TSUBOTANI ◽  
S. IINUMA ◽  
S. HARADA ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Topoisomerase I ◽  
Dna Topoisomerase I ◽  
Dna Topoisomerase

ChemInform Abstract: TAN-1496 A, C and E, Diketopiperazine Antibiotics with Inhibitory Activity Against Mammalian DNA Topoisomerase I.

ChemInform ◽  
2010 ◽  
Vol 26 (20) ◽  
pp. no-no
Author(s):  
Y. FUNABASHI ◽  
T. HORIGUCHI ◽  
S. IINUMA ◽  
S. TANIDA ◽  
S. HARADA
Keyword(s):  
Inhibitory Activity ◽  
Topoisomerase I ◽  
Dna Topoisomerase I ◽  
Dna Topoisomerase

Combined 3D-quantitative structure–activity relationships and topomer technology-based molecular design of human 4-hydroxyphenylpyruvate dioxygenase inhibitors

2020 ◽  
Vol 12 (9) ◽  
pp. 795-811 ◽  
Author(s):  
Yong-Xuan Liu ◽  
Shuang Gao ◽  
Tong Ye ◽  
Jia-Zhong Li ◽  
Fei Ye ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Binding Free Energy ◽  
Structure Activity Relationship ◽  
Activity Relationship ◽  
Type I ◽  
Quantitative Structure ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Quantitative Structure Activity Relationships ◽  
Relationship Of

Aim: 4-Hydroxyphenylpyruvate dioxygenase (HPPD) has attracted increasing attention as an important target against tyrosinemia type I. This paper aimed to explore the structure–activity relationship of HPPD inhibitors with pyrazole scaffolds and to design novel HPPD inhibitors. Methodology & results: The best 3D-quantitative structure–activity relationships model was established by two different strategies based on 40 pyrazole scaffold-based analogs. Screening of molecular fragments by topomer technology, combined with molecular docking, 14 structures were identified for potential human HPPD inhibitory activity. Molecular dynamics results demonstrated that all the compounds obtained bound to the enzyme and possessed a satisfactory binding free energy. Conclusion: The quantitative structure–activity relationship of HPPD inhibitors of pyrazole scaffolds was clarified and 14 original structures with potential human HPPD inhibitory activity were obtained.

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