Aralia spinosa leaves were collected from three different habitats in north Alabama. The leaf essential oils were collected by hydrodistillation and analyzed by gas chromatography / mass spectrometry (GC-MS). The most...Aralia spinosa leaves were collected from three different habitats in north Alabama. The leaf essential oils were collected by hydrodistillation and analyzed by gas chromatography / mass spectrometry (GC-MS). The most abundant components of A. spinosa essential oils were the sesquiterpenes germacrene D (28.0% - 37.3%), (E)-caryophyllene (8.2% - 15.7%), and α-humulene (1.9% - 4.9%);the monoterpene myrcene (up to 15.1%), and the fatty-acid-derivative (2E)-hexenal (trace to 28.9%). Fatty-acid derivatives and monoterpene hydrocarbons were more abundant in samples from suburban Huntsville than those from “natural” habitats (Monte Sano Mountain, Wheeler National Wildlife Refuge), while sesquiterpene hydrocarbons were more abundant in the natural/wild samples.展开更多
The overall goal of the project was to test the hypothesis that Lamium amplexicaule and Lamium purpureum, weedy invasive species to North America, use phytotoxic allelochemicals in interplant competition. The chemical...The overall goal of the project was to test the hypothesis that Lamium amplexicaule and Lamium purpureum, weedy invasive species to North America, use phytotoxic allelochemicals in interplant competition. The chemical compositions of the essential oils from the aerial parts of L. amplexicaule and L. purpureum have been obtained by hydrodistillation and analyzed by gas chromatography-mass spectrometry. The essential oils and several essential oil components have been screened for phytotoxic activity on lettuce (Lactuca sativa) and perennial ryegrass (Lolium perenne) as well as nematocidal activity against Caenorhabditis elegans, brine shrimp (Artemia salina) lethality, and insecticidal activity against the red imported fire ant (Solenopsis invicta × richteri). L. amplexicaule essential oil was composed largely of α-pinene, β- pinene, 1-octen-3-ol, (E)-caryophyllene, and germacrene D, while L. purpureum oil was dominated by α-pinene, β-pinene, 1-octen-3-ol, β-elemene, and germacrene D. Neither essential oil exhibited notable phytotoxicity or lethality against nema-todes, brine shrimp, or fire ants. It is unlikely, therefore, that the allelopathy observed in these Lamium species is due to volatile phytochemical constituents.展开更多
The epsilon class glutathione-S-transferase of Anopheles gambiae, agGSTe2, is capable of metabolizing DDT. A molecular docking analysis of DDT with agGSTe2 support an E2 elimination mechanism wherein the glutathione s...The epsilon class glutathione-S-transferase of Anopheles gambiae, agGSTe2, is capable of metabolizing DDT. A molecular docking analysis of DDT with agGSTe2 support an E2 elimination mechanism wherein the glutathione sulfur serves as the base to convert DDT to DDE.展开更多
Objective:To explore potential natural products against severe acute respiratory syndrome coronavirus(SARS-CoV-2)via the study of structural and non-structural proteins of human coronaviruses.Methods:In this study,we ...Objective:To explore potential natural products against severe acute respiratory syndrome coronavirus(SARS-CoV-2)via the study of structural and non-structural proteins of human coronaviruses.Methods:In this study,we performed an in-silico survey of 25 potential natural compounds acting against SARS-CoV-2.Molecular docking studies were carried out using compounds against 3-chymotrypsin-like protease(3 CL^(PHO)),papain-like protease(PL^(PRO)),RNA-dependent RNA polymerase(RdRp),non-structural protein(nsp),human angiotensin converting enzyme 2 receptor(hACE2 R),sapike glycoprotein(S protein),abelson murine leukemia viral oncogene homolog 1(ABL1),calcineurin-nuclear factor of activated T-cells(NFAT)and transmembrane protease serine 2.Results:Among the screened compounds,amentoflavone showed the best binding affinity with the 3 CL^(PRO),RdRp,nsp13,nsp15,hACE2 R,ABL1 and calcineurin-NFAT;berbamine with hACE2 R and ABL1;cepharanthine with nsp10,nsp14,nsp16,S protein and ABL1;glucogallin with nsp15;and papyriflavonol A with PL^(PRO)protein.Other good interacting compounds were juglanin,betulinic acid,betulonic acid,broussooflavan A,tomentin A,B and E,7-methoxycryptopleurine,aloe emodin,quercetin,tanshinone I,tylophorine and furruginol,which also showed excellent binding affinity towards a number of target proteins.Most of these compounds showed better binding affinities towards the target proteins than the standard drugs used in this study.Conclusion:Natural products or their derivatives may be one of the potential targets to fight against SARS-CoV-2.展开更多
文摘Aralia spinosa leaves were collected from three different habitats in north Alabama. The leaf essential oils were collected by hydrodistillation and analyzed by gas chromatography / mass spectrometry (GC-MS). The most abundant components of A. spinosa essential oils were the sesquiterpenes germacrene D (28.0% - 37.3%), (E)-caryophyllene (8.2% - 15.7%), and α-humulene (1.9% - 4.9%);the monoterpene myrcene (up to 15.1%), and the fatty-acid-derivative (2E)-hexenal (trace to 28.9%). Fatty-acid derivatives and monoterpene hydrocarbons were more abundant in samples from suburban Huntsville than those from “natural” habitats (Monte Sano Mountain, Wheeler National Wildlife Refuge), while sesquiterpene hydrocarbons were more abundant in the natural/wild samples.
文摘The overall goal of the project was to test the hypothesis that Lamium amplexicaule and Lamium purpureum, weedy invasive species to North America, use phytotoxic allelochemicals in interplant competition. The chemical compositions of the essential oils from the aerial parts of L. amplexicaule and L. purpureum have been obtained by hydrodistillation and analyzed by gas chromatography-mass spectrometry. The essential oils and several essential oil components have been screened for phytotoxic activity on lettuce (Lactuca sativa) and perennial ryegrass (Lolium perenne) as well as nematocidal activity against Caenorhabditis elegans, brine shrimp (Artemia salina) lethality, and insecticidal activity against the red imported fire ant (Solenopsis invicta × richteri). L. amplexicaule essential oil was composed largely of α-pinene, β- pinene, 1-octen-3-ol, (E)-caryophyllene, and germacrene D, while L. purpureum oil was dominated by α-pinene, β-pinene, 1-octen-3-ol, β-elemene, and germacrene D. Neither essential oil exhibited notable phytotoxicity or lethality against nema-todes, brine shrimp, or fire ants. It is unlikely, therefore, that the allelopathy observed in these Lamium species is due to volatile phytochemical constituents.
文摘The epsilon class glutathione-S-transferase of Anopheles gambiae, agGSTe2, is capable of metabolizing DDT. A molecular docking analysis of DDT with agGSTe2 support an E2 elimination mechanism wherein the glutathione sulfur serves as the base to convert DDT to DDE.
文摘Objective:To explore potential natural products against severe acute respiratory syndrome coronavirus(SARS-CoV-2)via the study of structural and non-structural proteins of human coronaviruses.Methods:In this study,we performed an in-silico survey of 25 potential natural compounds acting against SARS-CoV-2.Molecular docking studies were carried out using compounds against 3-chymotrypsin-like protease(3 CL^(PHO)),papain-like protease(PL^(PRO)),RNA-dependent RNA polymerase(RdRp),non-structural protein(nsp),human angiotensin converting enzyme 2 receptor(hACE2 R),sapike glycoprotein(S protein),abelson murine leukemia viral oncogene homolog 1(ABL1),calcineurin-nuclear factor of activated T-cells(NFAT)and transmembrane protease serine 2.Results:Among the screened compounds,amentoflavone showed the best binding affinity with the 3 CL^(PRO),RdRp,nsp13,nsp15,hACE2 R,ABL1 and calcineurin-NFAT;berbamine with hACE2 R and ABL1;cepharanthine with nsp10,nsp14,nsp16,S protein and ABL1;glucogallin with nsp15;and papyriflavonol A with PL^(PRO)protein.Other good interacting compounds were juglanin,betulinic acid,betulonic acid,broussooflavan A,tomentin A,B and E,7-methoxycryptopleurine,aloe emodin,quercetin,tanshinone I,tylophorine and furruginol,which also showed excellent binding affinity towards a number of target proteins.Most of these compounds showed better binding affinities towards the target proteins than the standard drugs used in this study.Conclusion:Natural products or their derivatives may be one of the potential targets to fight against SARS-CoV-2.
