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Agonistic approach of omega-3, omega-6 and its metabolites with BDNF: An in-silico study.

Kumar YP, Srinivas GS, E YM, Malla L, Rao AA - Bioinformation (2013)

Bottom Line: Brain derived neurotrophic factor (BDNF) is a member of neurotrophic family of growth factors, mainly found in the hippocampus and cerebral cortex of brain.In our study we performed docking studies on PUFAs and their metabolites with BDNF using MVD (Molegro Virtual Docker), this has shown that the metabolites of the PUFAs mainly LXA_4, NPD1, HDHA have shown more binding affinity towards BDNF.These metabolites of PUFAs are responsible for modulation of BDNF activity.

View Article: PubMed Central - PubMed

Affiliation: C R RAO Advanced Institute of Mathematics Statistics and Computer Science, University of Hyderabad campus, Gachibowli, Hyderabad-500046.

ABSTRACT
Brain derived neurotrophic factor (BDNF) is a member of neurotrophic family of growth factors, mainly found in the hippocampus and cerebral cortex of brain. Studies have shown that there is a link between BDNF and cognitive dysfunction, as well as there is a relationship between the PUFAs intake and their effect on BDNF production. Intake of PUFAs, mainly omega-3 and omega-6 has show increase in production of BDNF in brain. In our study we performed docking studies on PUFAs and their metabolites with BDNF using MVD (Molegro Virtual Docker), this has shown that the metabolites of the PUFAs mainly LXA_4, NPD1, HDHA have shown more binding affinity towards BDNF. These metabolites of PUFAs are responsible for modulation of BDNF activity.

No MeSH data available.


Related in: MedlinePlus

a) BDNF-LXA_4; b) BDNF-NPD1; c) BDNF-HDHA; d) BDNF-12-Hydroxy-5,8,10,14-eicosatetraenoic acid(omega-3 PUFA); e) BDNF- docosa-4,7,10,13,16- pentaenoic acid(omega-6 PUFA).
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Figure 4: a) BDNF-LXA_4; b) BDNF-NPD1; c) BDNF-HDHA; d) BDNF-12-Hydroxy-5,8,10,14-eicosatetraenoic acid(omega-3 PUFA); e) BDNF- docosa-4,7,10,13,16- pentaenoic acid(omega-6 PUFA).

Mentions: We can disclose that Table no.1 confirms 12-Hydroxy-5,8,10,14-eicosatetraenoic acid(5312983) have high dock score than the remaining other omega-3 PUFA molecules, Table no.2 has evidence that docosa-4,7,10,13,16-pentaenoic acid(5282848) have high dock score than remaining omega-6 PUFAs molecules and from the Table.3 we can substantiate that metabolites like LXA_4 (5280914) have high dock score than omega-3, omega-6 PUFAs. Figure no 4 frame up the interaction of BDNF molecule with best metabolites (LXA_4), omega-3 and omega-6 molecules.


Agonistic approach of omega-3, omega-6 and its metabolites with BDNF: An in-silico study.

Kumar YP, Srinivas GS, E YM, Malla L, Rao AA - Bioinformation (2013)

a) BDNF-LXA_4; b) BDNF-NPD1; c) BDNF-HDHA; d) BDNF-12-Hydroxy-5,8,10,14-eicosatetraenoic acid(omega-3 PUFA); e) BDNF- docosa-4,7,10,13,16- pentaenoic acid(omega-6 PUFA).
© Copyright Policy - open-access
Related In: Results  -  Collection

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Figure 4: a) BDNF-LXA_4; b) BDNF-NPD1; c) BDNF-HDHA; d) BDNF-12-Hydroxy-5,8,10,14-eicosatetraenoic acid(omega-3 PUFA); e) BDNF- docosa-4,7,10,13,16- pentaenoic acid(omega-6 PUFA).
Mentions: We can disclose that Table no.1 confirms 12-Hydroxy-5,8,10,14-eicosatetraenoic acid(5312983) have high dock score than the remaining other omega-3 PUFA molecules, Table no.2 has evidence that docosa-4,7,10,13,16-pentaenoic acid(5282848) have high dock score than remaining omega-6 PUFAs molecules and from the Table.3 we can substantiate that metabolites like LXA_4 (5280914) have high dock score than omega-3, omega-6 PUFAs. Figure no 4 frame up the interaction of BDNF molecule with best metabolites (LXA_4), omega-3 and omega-6 molecules.

Bottom Line: Brain derived neurotrophic factor (BDNF) is a member of neurotrophic family of growth factors, mainly found in the hippocampus and cerebral cortex of brain.In our study we performed docking studies on PUFAs and their metabolites with BDNF using MVD (Molegro Virtual Docker), this has shown that the metabolites of the PUFAs mainly LXA_4, NPD1, HDHA have shown more binding affinity towards BDNF.These metabolites of PUFAs are responsible for modulation of BDNF activity.

View Article: PubMed Central - PubMed

Affiliation: C R RAO Advanced Institute of Mathematics Statistics and Computer Science, University of Hyderabad campus, Gachibowli, Hyderabad-500046.

ABSTRACT
Brain derived neurotrophic factor (BDNF) is a member of neurotrophic family of growth factors, mainly found in the hippocampus and cerebral cortex of brain. Studies have shown that there is a link between BDNF and cognitive dysfunction, as well as there is a relationship between the PUFAs intake and their effect on BDNF production. Intake of PUFAs, mainly omega-3 and omega-6 has show increase in production of BDNF in brain. In our study we performed docking studies on PUFAs and their metabolites with BDNF using MVD (Molegro Virtual Docker), this has shown that the metabolites of the PUFAs mainly LXA_4, NPD1, HDHA have shown more binding affinity towards BDNF. These metabolites of PUFAs are responsible for modulation of BDNF activity.

No MeSH data available.


Related in: MedlinePlus