RESUMO
Two new Mg(II)-based and Zn(II)-based coordination polymers, {[Mg3(BTB)(DMA)4](DMA)2}n (1, H3BTB=1,3,5-benzenetrisbenzoic acid, DMA=N,N-dimethylacetamide) and {(H2NMe2)2[Zn3(BTB)2(OH)(Im)](DMF)9(MeOH)7}n (2, Im=imidazole, DMF=N,N-dimethylformamide), have been successfully synthesized and structurally characterized under solvothermal conditions. 1 contains a linear [Mg3(COO)6] cluster that connected by the fully deprotonated BTB3- ligands to give a kgd-type 2D bilayer structure; 2 represents a microporous 3D pillar-layered system based on the binuclear Zn units and pillared Im ligands, which shows a (3,5)-connected hms topological net. In addition, in vitro anticancer activities of compounds 1 and 2 on 4 human liver cancer cells (HB611, HHCC, BEL-7405 and SMMC-7721) were determined.
Assuntos
Humanos , Benzimidazóis/farmacologia , Estruturas Metalorgânicas/farmacologia , Neoplasias Hepáticas/tratamento farmacológico , Antineoplásicos/farmacologia , Zinco/química , Benzimidazóis/síntese química , Estrutura Molecular , Linhagem Celular Tumoral , Estruturas Metalorgânicas/síntese química , Ligantes , Neoplasias Hepáticas/patologia , Magnésio/química , Antineoplásicos/síntese químicaRESUMO
The purpose of this work was to study the giant strong component (GSC) of B. thuringiensis metabolic network by structural and functional analysis. Based on so-called "bow tie" structure, we extracted and studied GSC with its functional significance. Global structural properties such as degree distribution and average path length were computed and indicated that the GSC is also a small-world and scale-free network. Furthermore, the GSC was decomposed and functional significant for metabolism of these divisions were investigated by comparing to KEGG metabolic pathways.
O objetivo deste trabalho foi realizar uma análise estrutural e funcional do GSC (Giant Strong Component) da rede metabólica de Bacillus thurigiensis. Baseando-se na estrutura bow-tie, o GSC foi extraído e analisado quanto ao sue significado funcional. Propriedades estruturais globais tais como grau de distribuição e tamanho médio da via metabólica foram mensuradas, concluindo-se que o GSC é também uma rede small world e scalefree. Além disso, a rede GSC foi decomposta e as divisões com significância funcional no metabolismo foram comparadas às vias metabólicas KEGG.