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

Bioinformation
Rosana O BabuSanthosh J Eapen

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.

Citations

Apr 22, 2015·Research in Veterinary Science·Víctor LópezCarlota Gómez-Rincón
Apr 12, 2019·Pest Management Science·Elisa Korenblum, Asaph Aharoni
Aug 28, 2020·Journal of Molecular Graphics & Modelling·Ponciano García-GutiérrezAbraham Landa
Nov 6, 2018·Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association·Jullyana S S QuintansLucindo J Quintans-Júnior

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