X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8.

Hamed A, Ismail M, El-Metwally MM, Frese M, Stammler H-G, Sewald N, Shaaban M (2019)
Natural product research 33(1): 117-121.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
A re-cultivation of the thermophilic fungus Aspergillus terreus TM8, and working up of its extract afforded the dichloro-benzophenone derivative, dihydrogeodin (1) in addition to the butyrolactones I (2), V (3) and VI (4). A literature surveying revealed one recent structural assignment trial for dihydrogeodin (1), however, with some inaccuracies. We report herein a full assignment of dihydrogeodin (1) using extensive study of 1D, 2D NMR and ESI HR mass data. For the first time as well, we report the planar structure of 1 using X-ray crystallography. Docking and molecular dynamic simulation of dihydrogeodin (1) on the isomerase cyclophilin A has revealed its significant potential activity as an antiviral and immunosuppressive agent.
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Natural product research
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33
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1
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117-121
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Hamed A, Ismail M, El-Metwally MM, et al. X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8. Natural product research. 2019;33(1):117-121.
Hamed, A., Ismail, M., El-Metwally, M. M., Frese, M., Stammler, H. - G., Sewald, N., & Shaaban, M. (2019). X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8. Natural product research, 33(1), 117-121. doi:10.1080/14786419.2018.1431642
Hamed, A., Ismail, M., El-Metwally, M. M., Frese, M., Stammler, H. - G., Sewald, N., and Shaaban, M. (2019). X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8. Natural product research 33, 117-121.
Hamed, A., et al., 2019. X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8. Natural product research, 33(1), p 117-121.
A. Hamed, et al., “X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8.”, Natural product research, vol. 33, 2019, pp. 117-121.
Hamed, A., Ismail, M., El-Metwally, M.M., Frese, M., Stammler, H.-G., Sewald, N., Shaaban, M.: X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8. Natural product research. 33, 117-121 (2019).
Hamed, Abdelaaty, Ismail, Mohamed, El-Metwally, Mohammad M, Frese, Marcel, Stammler, Hans-Georg, Sewald, Norbert, and Shaaban, Mohamed. “X-ray, structural assignment and molecular docking study of dihydrogeodin from Aspergillus Terreus TM8.”. Natural product research 33.1 (2019): 117-121.

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