Phytochemical Analysis and Binding Interaction of Cotton Seed Cake Derived Compounds with Target Protein of Meloidogyne incognita for Nematicidal Evaluation

Fahad M Almutairi; Amir Khan; Mohammad Rehan Ajmal; Rizwan Hasan Khan; Mohd Farhan Khan; Hira Lal; Mohammad Fahad Ullah; Faheem Ahmad; Lukman Ahamad; Arshad Khan; Hussain Arif; M Ayaz Ahmad

doi:10.3390/life12122109

Phytochemical Analysis and Binding Interaction of Cotton Seed Cake Derived Compounds with Target Protein of Meloidogyne incognita for Nematicidal Evaluation

Life (Basel). 2022 Dec 15;12(12):2109. doi: 10.3390/life12122109.

Authors

Affiliations

¹ Physical Biochemistry Research Laboratory, Biochemistry Department, Faculty of Science, University of Tabuk, Tabuk 71491, Saudi Arabia.
² Department of Botany, Aligarh Muslim University, Aligarh 202002, India.
³ Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh 202002, India.
⁴ Department of Science, Gagan College of Management and Technology, Aligarh 202002, India.
⁵ Department of Chemistry, Aligarh Muslim University, Aligarh 202002, India.
⁶ Department of Medical Laboratory Technology, Faculty of Applied Medical Sciences, University of Tabuk, Tabuk 47512, Saudi Arabia.
⁷ Department of Biochemistry, Mohammad Ali Jauhar University, Rampur 244901, India.
⁸ Department of Physics, University of Tabuk, Tabuk 71491, Saudi Arabia.

Abstract

The root-knot nematode Meloidogyne incognita is one of the most damaging plant-parasitic nematodes and is responsible for significant crop losses worldwide. Rising human health and environmental concerns have led to the withdrawal of commonly used chemical nematicides. There has been a tremendous demand for eco-friendly bio-nematicides with beneficial properties to the nematode hosting plants, which encourages the need for alternative nematode management practices. The current study was undertaken to determine the nematicidal potential of cotton seed cake (CSC) against second-stage juvenile (J2) hatching, J2 mortality, and J2 penetration of M. incognita in tomato plants in vitro. J2s and egg masses of M. incognita were exposed to four concentrations (250, 500, 750, and 1000 mg/L) of CSC extracts. The higher J2 mortality and inhibition of J2 hatching were found at 1000 mg/L, while the least effective result was observed at 250 mg/L of the CSC extract. The CSC extract applied with the concentrations mentioned above also showed inhibition of J2 penetration in tomato roots; 1000 mg/L showed the highest inhibition of penetration, while 250 mg/L displayed the least inhibition. Using gas chromatography-mass spectroscopy, we identified 11 compounds, out of which 9,12-Octadecadienoic acid, Hexadecanoic acid, and Tetradecanoic acid were found as major compounds. Subsequently, in silico molecular docking was conducted to confirm the nematicidal behavior of CSC based on binding interactions of the above three major compounds with the targeted protein acetylcholine esterase (AChE) of M. incognita. The values of binding free energy are -5.3, -4.5, and -4.9 kcal/mol, observed for 9,12-Octadecadienoic acid, n-Hexadecanoic acid, and Tetradecanoic acid, respectively, suggesting that 9,12-Octadecadienoic acid binds with the receptor AChE more efficiently than the other two ligands. This study indicates that CSC has nematicidal potential that can be used to control M. incognita for sustainable agriculture.

Keywords: molecular docking; oil seed cake; phytochemical analysis; plant-parasitic nematodes; sustainable management.

Grants and funding

DSR-1441-S-0099/University of Tabuk