The purpose of this study is to use the newly synthesized molecule Sodium 8-(((carboxymethyl)amino)methyl)-4',7-bishydroxy-isoflavone-3'-sulfonate(M)as a research object,the pharmacological mechanism of the mo...The purpose of this study is to use the newly synthesized molecule Sodium 8-(((carboxymethyl)amino)methyl)-4',7-bishydroxy-isoflavone-3'-sulfonate(M)as a research object,the pharmacological mechanism of the molecule was analyzed by using a series of Systematic pharmacology methods.The results show that the M molecule has a higher drug-like DL value of 0.59 and better molecular property parameters,namely Hdon=4,Hacc=10 and AlogP=0.94;A total of 11 M molecules related targets,namely F2,ESR1,AR,F10,CA2,DPP4,CCNA2,PRSS1,CDK2,GSK3B and PTPN1;A total of 140 diseases are associated with M molecule targets,and these diseases are mainly related to cancer and cardiovascular diseases;A total of 52 pathways involve the pharmacological mechanisms of M molecules,which are mainly related to cancer and other related diseases;GO-enriched analysis showed that these targets are closely related to the regulation of peptidase activity and biological processes such as blood coagulation and hemostasis.This article clearly demonstrated the pharmacological mechanism of M molecule,which provides references for exploring the pharmacological mechanism of new compounds.展开更多
Voltammetric behavior of sodium 7-methoxyl-4'-hydroxylisoflavone-3'-sulfonate (SMHS) in the aqueous solu-tion from pH 1 to 5 was studied by linear sweep voltammetry, cyclic voltammetry and normal pulse voltamm...Voltammetric behavior of sodium 7-methoxyl-4'-hydroxylisoflavone-3'-sulfonate (SMHS) in the aqueous solu-tion from pH 1 to 5 was studied by linear sweep voltammetry, cyclic voltammetry and normal pulse voltammetry. Experimental results showed that in 0.2 molL-1 sodium citrate-hydrochloric acid buffer solution (pH=4.65), SMHS caused only one reduction wave at -1.34 V (vs. saturated calomel electrode, SCE), which was an irreversi-ble adsorptive wave of SMHS protonized involving one electron and one proton. The peak current of SMHS on lin-ear sweep voltammogram was proportional to its concentration in the range of 8.0×10-6—8.0×10-5 molL-1 (r=0.995), and the detection limit was 5.0×10-6 mol昄-1. The method was applied to determination of SMHS in syn-thetic samples. In addition, its scavenging effect on superoxide anion radical was studied by the auto-oxidation of pyrogallol in HCl-tris buffer solution (pH=8.2) in order to explain its peculiar biological effects. The experimental results proved that SMHS has antioxidant quality, and it is an efficient free radical scavenger of superoxide anion radical.展开更多
Two hydrates of sodium 5,7-dihydroxy-6,4'-dimethoxyisoflavone-3'-sulfonate ([Na(H2O)](C17H13O6SO3)2H2O, 1) and nickel 5,7-dihydroxy-6,4'-dimethoxyisoflavone-3'-sulfonate ([Ni(H2O)6](C17H13O6SO3)24H2O, ...Two hydrates of sodium 5,7-dihydroxy-6,4'-dimethoxyisoflavone-3'-sulfonate ([Na(H2O)](C17H13O6SO3)2H2O, 1) and nickel 5,7-dihydroxy-6,4'-dimethoxyisoflavone-3'-sulfonate ([Ni(H2O)6](C17H13O6SO3)24H2O, 2) were syn-thesized and characterized by IR, 1H NMR and X-ray diffraction analyses. The hydrate 1 crystallizes in the mono-clinic system, space group P2(1) with a=0.8201(9) nm, b=0.8030(8) nm, c=1.5361(16) nm, =102.052(12), V=0.9893(18) nm3, Dc=1.579 g/cm3, Z=2, =0.252 nm-1, F(000)=488, R=0.0353, wR=0.0873. The hydrate 2 belongs to triclinic system, space group P-1 with a=0.7411(3) nm, b=0.8333(3) nm, c=1.7448(7) nm, a=86.361(6), 撸?6.389(5), ?=88.999(3), V=1.0731(7) nm3, Dc=1.587 g/cm3, Z=1, =0.649 mm-1, F(000)=534. In the structure of 1, the sodium cation is coordinated by six oxygen atoms and two adjacent ones are bridged by three oxygen atoms to form an octahedron chain. The C—H…p hydrogen bonds exist between two isoflavone molecules in the structure of 2. Meanwhile, hydrogen bonds in two compounds, link themselves to assemble two three-dimensional network structures, respectively.展开更多
基金The study was funded by the Middle-Aged and Young Teachers in Colleges and Universities in Guangxi Basic Ability Promotion Project(No.2017KY0581)and Natural Science Foundation of Guangxi Province(No.2018GXNSFAA138140).
文摘The purpose of this study is to use the newly synthesized molecule Sodium 8-(((carboxymethyl)amino)methyl)-4',7-bishydroxy-isoflavone-3'-sulfonate(M)as a research object,the pharmacological mechanism of the molecule was analyzed by using a series of Systematic pharmacology methods.The results show that the M molecule has a higher drug-like DL value of 0.59 and better molecular property parameters,namely Hdon=4,Hacc=10 and AlogP=0.94;A total of 11 M molecules related targets,namely F2,ESR1,AR,F10,CA2,DPP4,CCNA2,PRSS1,CDK2,GSK3B and PTPN1;A total of 140 diseases are associated with M molecule targets,and these diseases are mainly related to cancer and cardiovascular diseases;A total of 52 pathways involve the pharmacological mechanisms of M molecules,which are mainly related to cancer and other related diseases;GO-enriched analysis showed that these targets are closely related to the regulation of peptidase activity and biological processes such as blood coagulation and hemostasis.This article clearly demonstrated the pharmacological mechanism of M molecule,which provides references for exploring the pharmacological mechanism of new compounds.
基金the National Natural Science Foundation of China (No. 20275030) the Key Item of Science and Technique by the Ministry of Education (No. 02187) the Foundation for University Key Teacher by the Ministry of Education (No. GG-150-71006-2
文摘Voltammetric behavior of sodium 7-methoxyl-4'-hydroxylisoflavone-3'-sulfonate (SMHS) in the aqueous solu-tion from pH 1 to 5 was studied by linear sweep voltammetry, cyclic voltammetry and normal pulse voltammetry. Experimental results showed that in 0.2 molL-1 sodium citrate-hydrochloric acid buffer solution (pH=4.65), SMHS caused only one reduction wave at -1.34 V (vs. saturated calomel electrode, SCE), which was an irreversi-ble adsorptive wave of SMHS protonized involving one electron and one proton. The peak current of SMHS on lin-ear sweep voltammogram was proportional to its concentration in the range of 8.0×10-6—8.0×10-5 molL-1 (r=0.995), and the detection limit was 5.0×10-6 mol昄-1. The method was applied to determination of SMHS in syn-thetic samples. In addition, its scavenging effect on superoxide anion radical was studied by the auto-oxidation of pyrogallol in HCl-tris buffer solution (pH=8.2) in order to explain its peculiar biological effects. The experimental results proved that SMHS has antioxidant quality, and it is an efficient free radical scavenger of superoxide anion radical.
基金the Natural Science Foundation of Shaanxi Province (No. 2001K11-G5).
文摘Two hydrates of sodium 5,7-dihydroxy-6,4'-dimethoxyisoflavone-3'-sulfonate ([Na(H2O)](C17H13O6SO3)2H2O, 1) and nickel 5,7-dihydroxy-6,4'-dimethoxyisoflavone-3'-sulfonate ([Ni(H2O)6](C17H13O6SO3)24H2O, 2) were syn-thesized and characterized by IR, 1H NMR and X-ray diffraction analyses. The hydrate 1 crystallizes in the mono-clinic system, space group P2(1) with a=0.8201(9) nm, b=0.8030(8) nm, c=1.5361(16) nm, =102.052(12), V=0.9893(18) nm3, Dc=1.579 g/cm3, Z=2, =0.252 nm-1, F(000)=488, R=0.0353, wR=0.0873. The hydrate 2 belongs to triclinic system, space group P-1 with a=0.7411(3) nm, b=0.8333(3) nm, c=1.7448(7) nm, a=86.361(6), 撸?6.389(5), ?=88.999(3), V=1.0731(7) nm3, Dc=1.587 g/cm3, Z=1, =0.649 mm-1, F(000)=534. In the structure of 1, the sodium cation is coordinated by six oxygen atoms and two adjacent ones are bridged by three oxygen atoms to form an octahedron chain. The C—H…p hydrogen bonds exist between two isoflavone molecules in the structure of 2. Meanwhile, hydrogen bonds in two compounds, link themselves to assemble two three-dimensional network structures, respectively.
