Synthesis, biological activity, computer aided drug design of alpha-pinene derivatives / 中国中药杂志
China Journal of Chinese Materia Medica
;
(24): 1001-1007, 2018.
Article
in Chinese
| WPRIM
| ID: wpr-687341
ABSTRACT
Based on the anticancer mechanism of biological alkylating agent, we designed and synthesized two alpha pinene derivatives(1R,5S)-(6,6-dimethylbicyclo[3,1,1]hept-2-en-2-yl)methyl benzenesulfonate and (1R,5S)-(6,6-dimethylbicyclo[3,1,1]hept-2-en-2-yl)methyl 4-methylbenzenesulfonate, of which structures were confirmed by ¹H-NMR, HPLC and MS date. These two compounds showed a good inhibition of tumor cells' proliferation. Further, the computer siuulation of molecular docking and metabolic kinetics indicated that these two copounds may have stable molecular complexation with protein CDK2, which closely related to the cell cycle.
Full text:
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Index:
WPRIM (Western Pacific)
Language:
Chinese
Journal:
China Journal of Chinese Materia Medica
Year:
2018
Type:
Article
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