Taking isovanillin and the important products synthesized from raw materials of isovanillin as objects,this paper reviews its pharmacological effects and molecular mechanisms,including inhibiting tumor angiogenesis,bl...Taking isovanillin and the important products synthesized from raw materials of isovanillin as objects,this paper reviews its pharmacological effects and molecular mechanisms,including inhibiting tumor angiogenesis,blocking cancer cell self-repair,inducing cancer cell DNA fragmentation,cytotoxicity,inhibiting tumor growth,regulating brain nerves,inhibiting renin and other pharmacological effects,etc.,which provide new ideas for the in-depth research and development of isovanillin.展开更多
This experiment has been carried out to observe the potential thrombolytic activity of naturally occuring phytochemicals in Ginger (Zingiber officinale) and to analyze their drug likeness property and ADME/T profile. ...This experiment has been carried out to observe the potential thrombolytic activity of naturally occuring phytochemicals in Ginger (Zingiber officinale) and to analyze their drug likeness property and ADME/T profile. Thrombolytic activity of Ginger has already been confirmed in laboratory experiment and this study focuses on the molecular interactions among four phytocompounds (Isovanillin, Gingerol, Beta-sitosterol and 2,6-Dimethyl-2-octene-1,8-diol) found in Ginger and Tissue Plasminogen Activator (tPA). Present experiment is largely based on computer-aided drug design protocol where the strength of interaction is described as binding energy function. Isovanillin exhibited better docking score, and so this compound might have greater thrombolytic activity than others. Moreover, Isovanillin also suggested sound drug likeness property and ADME/T profile which predicts its safeness for consumption in human body. But Beta-sitosterol violated Lipinski’s rule of five and 2, 6-Dimethyl-2-octene-1,8-diol showed the lowest affinity of binding with tPA. However, further in vivo or in vitro study may be required to confirm the thrombolytic activity of Isovanillin.展开更多
The reaction of tetraethylammonium metavanadate, （Et4N）VO3, with isovanillin semithiocarbazone（VSTC）, HOC6H3（OCH3）CH=NNHCSNH2, in a mixed solvent of ethanol, water and DMSO yields the mononuclear dioxovanadate（...The reaction of tetraethylammonium metavanadate, （Et4N）VO3, with isovanillin semithiocarbazone（VSTC）, HOC6H3（OCH3）CH=NNHCSNH2, in a mixed solvent of ethanol, water and DMSO yields the mononuclear dioxovanadate（V） complex, [（C2H5）4N][V（V）O2 （OC6H3- （OCH3）CHNNCSNH2）](H2O （C17H31N4O5SV, Mr = 454.5） and its single-crystal structure has been determined by X-ray diffraction. The crystal belongs to orthorhombic space group P212121 with unit cell parameters a = 12.940（3）, b= 15.414（3）, c = 10.703（2） ?, V = 2134.8（11） ?3, Z=4, Dcalc = 1.414 Kg/m3, ( = 0.597 mm-1, and F（000） = 960. The final agreement factors are R = 0.076 and Rw=0.096 for 1600 observed independent reflections with F ≥4.0(（F）. The structure revealed that the vanadium atom is bound to two terminal oxygen atoms and one tridentate donor ligand in a distorted square pyramidal arrangement. The sulphur-nitrogen-oxygen donor Schiff-base ligand in the thiol form rather than the thione form is coordinated to the vanadium via the mercapto sulphur, the (-nitrogen and the hydroxylate oxygen.展开更多
Objective To study the chemical constituents from the barks of Lannea coromande/ica. Methods The chemical constituents were isolated and purified by column chromatography on silica gel column. NMR spectra were used fo...Objective To study the chemical constituents from the barks of Lannea coromande/ica. Methods The chemical constituents were isolated and purified by column chromatography on silica gel column. NMR spectra were used for structural identification. Results Thirteen compounds were isolated and identified as quercetin （1）, （2S,3S,4R, lOLg-2-[（2＂R）-2＇-hydroxytetracosanoyl amino]-10-octadecene-l,3,4- triol （2）, aralia cerebroside （3）, 5,5＇-dibuthoxy-2,2＇-bifuran （4）, ^-sitosteryl- 3^-glucopyranoside-6＇-O-palmitate （5）, B-sitosterol palmitate （6）, myricadiol （7）, protocatechuic acid （8）, p-hydroxybenzoic acidethyl ester （9）, isovanillin （10）, trans- cinnamicacid （I 1）, palmiticacid （12）, and stearicacid （13）. Conclusion Compounds 2-13 are isolated from this plant for the first time.展开更多
基金Supported by the Central Talent Training Fund for Local University Reform and Development(2020GSP16).
文摘Taking isovanillin and the important products synthesized from raw materials of isovanillin as objects,this paper reviews its pharmacological effects and molecular mechanisms,including inhibiting tumor angiogenesis,blocking cancer cell self-repair,inducing cancer cell DNA fragmentation,cytotoxicity,inhibiting tumor growth,regulating brain nerves,inhibiting renin and other pharmacological effects,etc.,which provide new ideas for the in-depth research and development of isovanillin.
文摘This experiment has been carried out to observe the potential thrombolytic activity of naturally occuring phytochemicals in Ginger (Zingiber officinale) and to analyze their drug likeness property and ADME/T profile. Thrombolytic activity of Ginger has already been confirmed in laboratory experiment and this study focuses on the molecular interactions among four phytocompounds (Isovanillin, Gingerol, Beta-sitosterol and 2,6-Dimethyl-2-octene-1,8-diol) found in Ginger and Tissue Plasminogen Activator (tPA). Present experiment is largely based on computer-aided drug design protocol where the strength of interaction is described as binding energy function. Isovanillin exhibited better docking score, and so this compound might have greater thrombolytic activity than others. Moreover, Isovanillin also suggested sound drug likeness property and ADME/T profile which predicts its safeness for consumption in human body. But Beta-sitosterol violated Lipinski’s rule of five and 2, 6-Dimethyl-2-octene-1,8-diol showed the lowest affinity of binding with tPA. However, further in vivo or in vitro study may be required to confirm the thrombolytic activity of Isovanillin.
文摘The reaction of tetraethylammonium metavanadate, （Et4N）VO3, with isovanillin semithiocarbazone（VSTC）, HOC6H3（OCH3）CH=NNHCSNH2, in a mixed solvent of ethanol, water and DMSO yields the mononuclear dioxovanadate（V） complex, [（C2H5）4N][V（V）O2 （OC6H3- （OCH3）CHNNCSNH2）](H2O （C17H31N4O5SV, Mr = 454.5） and its single-crystal structure has been determined by X-ray diffraction. The crystal belongs to orthorhombic space group P212121 with unit cell parameters a = 12.940（3）, b= 15.414（3）, c = 10.703（2） ?, V = 2134.8（11） ?3, Z=4, Dcalc = 1.414 Kg/m3, ( = 0.597 mm-1, and F（000） = 960. The final agreement factors are R = 0.076 and Rw=0.096 for 1600 observed independent reflections with F ≥4.0(（F）. The structure revealed that the vanadium atom is bound to two terminal oxygen atoms and one tridentate donor ligand in a distorted square pyramidal arrangement. The sulphur-nitrogen-oxygen donor Schiff-base ligand in the thiol form rather than the thione form is coordinated to the vanadium via the mercapto sulphur, the (-nitrogen and the hydroxylate oxygen.
基金National Natural Science Foundation(21162009)Special Major Science and Technology R&D in Hainan(ZDZX20100007)
文摘Objective To study the chemical constituents from the barks of Lannea coromande/ica. Methods The chemical constituents were isolated and purified by column chromatography on silica gel column. NMR spectra were used for structural identification. Results Thirteen compounds were isolated and identified as quercetin （1）, （2S,3S,4R, lOLg-2-[（2＂R）-2＇-hydroxytetracosanoyl amino]-10-octadecene-l,3,4- triol （2）, aralia cerebroside （3）, 5,5＇-dibuthoxy-2,2＇-bifuran （4）, ^-sitosteryl- 3^-glucopyranoside-6＇-O-palmitate （5）, B-sitosterol palmitate （6）, myricadiol （7）, protocatechuic acid （8）, p-hydroxybenzoic acidethyl ester （9）, isovanillin （10）, trans- cinnamicacid （I 1）, palmiticacid （12）, and stearicacid （13）. Conclusion Compounds 2-13 are isolated from this plant for the first time.
