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Title

Virtual screening and in vitro assay of potential drug like inhibitors from spices against Glutathione-S-Transferase of Meloidogyne incognita

 

Authors

Rosana O Babu1, Dinsha Moorkoth2, Shamina Azeez3, Santhosh J Eapen2

 

Affiliation

1Bioinformatics Centre, Indian Institute of Spices Research, Calicut, Kerala – 673 012, India; 2Division of Crop Protection, Indian Institute of Spices Research, Calicut, Kerala – 673 012, India; 3Division of Crop Production & PHT, Indian Institute of Spices Research, Calicut, Kerala – 673 012, India.

 

Email

rosana@spices.res.in; *Corresponding author

 

Article Type

Hypothesis

 

Date

Received March 31, 2012; Accepted April 05, 2012; Published April 13, 2012

 

Abstract

Glutathione S-transferases GSTs) enzymes are critical antioxidant and detoxification system responsible for long-term existence of nematodes in host species. Hence, 16 phytochemicals predicted and reported to have potential nematicidal activity have been docked to GST enzyme of Meloidogyne incognita to assess their binding affinity and inhibitory activity. In vitro effects of these phytochemicals from in silico results have been done for validation of docking studies and efficacy in GST inhibition of following compounds such as alpha- pinene, alpha- terpineol, beta- caryophyllene, capsaicin, cinnamic acid, citronellol, curcumin, eugenol, geraniol, isoeugenol, linalool, myristicin, neral, NVA (N-vanillylnonanamide), piperine, vanillin have been revealed. Nematode inhibition in vitro bioassay for selected compounds could conclude that maximum mortality was observed with highest concentrations of beta- caryophyllene (78%) followed by eugenol (61.6%), cinnamic acid (55%) and N-vanillylnonanamide (49%). These findings thus suggest that the above phytochemicals could be potentially developed as nematicidal molecules against M. incognita infections.

 

Keywords

Meloidogyne incognita, Docking, Glutathione S-transferase(s), Phytochemicals

 

Citation

Babu et al. Bioinformation 8(7): 319-325 (2012)
 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.