Theoretical Research into Anticancer Activity of Diterpenes Isolated from the Paraiban Flora

Many studies of the scientific literature discuss the anticancer activity of diterpenes inhibiting the Akt/IKK/NF-κB pro-survival signaling cascade, mainly by the activation of serine/threonine phosphatase PP2A. The aim of this work was to evaluate and compare the anticancer potential of three atisa...

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Bibliographic Details
Published in:Natural product communications 2014-07, Vol.9 (7), p.911-914
Main Authors: Scotti, Luciana, Ishiki, Hamilton, Junior, Francisco J.B. Mendonça, Santos, Paula F., Tavares, Josean F., Silva, Marcelo S., Scotti, Marcus T.
Format: Article
Language:English
Subjects:
Antineoplastic Agents, Phytogenic - chemistry
Antineoplastic Agents, Phytogenic - pharmacology
Computer Simulation
Diterpenes - chemistry
Diterpenes - pharmacology
Models, Chemical
Models, Molecular
Plant Roots - chemistry
Stereoisomerism
Xylopia - chemistry
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Summary:Many studies of the scientific literature discuss the anticancer activity of diterpenes inhibiting the Akt/IKK/NF-κB pro-survival signaling cascade, mainly by the activation of serine/threonine phosphatase PP2A. The aim of this work was to evaluate and compare the anticancer potential of three atisane, three kaurane and three trachylobane diterpenes extracted from the roots of Xylopia langsdorffiana. Thus, we investigated the reactivity (H-LGAP parameter), HOMO atmosphere favorable to neutralize the radical reactivity, and the docking of compounds with PP2A. With all approaches, this theoretical study showed that atisane diterpenes have favorable characteristics for antitumor activity, like electron donating ability and greater hydrophilic interactions with the enzyme, by inhibition of Akt/IKK/NF-κB, and activation of PP2A.
ISSN:1934-578X
1555-9475
DOI:10.1177/1934578X1400900707