Phytochemical Analysis and Binding Interaction of Cotton Seed Cake Derived Compounds with Target Protein of Meloidogyne incognita for Nematicidal Evaluation
Abstract
:1. Introduction
2. Materials and Methods
2.1. Materials
2.2. Collection and Multiplication of Inoculums (J2s) of M. incognita
3. Identification of Meloidogyne Species through Scanning Electron Microscopy (SEM) Analysis
3.1. Preparation of CSC Extract
3.2. GC-MS Analysis of CSC Extract
3.3. Mortality Test
3.4. Hatching Bioassay
3.5. J2 Infection Bioassay
3.6. Molecular Modeling and Docking
Molecular Docking
3.7. Protein and Ligand Preparation
3.8. Statistical Analysis
4. Results and Discussion
4.1. GC-MS Analysis
4.2. Molecular Docking Analysis
4.3. Evaluation of Different Concentrations of CSC on J2s’ Mortality and J2s’ Hatching Inhibition of M. incognita
4.4. Effect of Different Concentrations of CSC on J2s’ Penetration in Roots of Tomato Seedlings
5. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Peak Number | Retention Time | Area | Area% | Name of Compound | Molecular Weight | Molecular Formula |
---|---|---|---|---|---|---|
1 | 12.024 | 1,906,993 | 0.41 | Tetradecanoic acid | 228.37 | C14H28O2 |
2 | 12.467 | 114,218 | 0.02 | Neophytadiene | 278.5 | C20H38 |
3 | 13.806 | 2,301,736 | 0.49 | Phthalic acid | 166.13 | C8H6O4 |
4 | 14.000 | 170,834,132 | 36.40 | n-Hexadecanoic acid | 256.42 | C16H32O2 |
5 | 15.313 | 282,292 | 0.06 | Methyl stearate | 298.5 | C19H38O2 |
6 | 15.683 | 283,687,872 | 60.45 | 9,12-Octadecadienoic acid | 280.4 | C18H32O2 |
7 | 15.832 | 5,263,067 | 1.12 | 9-Octadecenoic acid | 282.5 | C18H34O2 |
8 | 16.988 | 139,234 | 0.03 | Hexadecanal | 240.42 | C16H32O |
9 | 18.503 | 640,704 | 0.14 | Octadecanoic acid | 284.47 | C18H36O2 |
10 | 23.410 | 179,662 | 0.04 | Squalene | 410.7 | C30H50 |
11 | 26.878 | 1,276,644 | 0.27 | Stigmast-5-en-3-ol | 414.7 | C29H50O |
Ligands | Binding Free Energy (kcal/mol) | Interactions | |
---|---|---|---|
Hydrogen Bonding | Others | ||
9,12-Octadecadienoic acid | −5.3 | Asn283, Thr287, and Asn363 | Ile282, Asn284, Ala286, Phe365, Leu601, Glu602, Gln605, and Ala606 |
n-Hexadecanoic acid | −4.5 | - | Asp126, Met128, Tyr173, Asp336, Ser339, Pro345, Met346 Asp347, Phe348, Ala349, Trp391, and Tyr394 |
Tetradecanoic acid | −4.9 | Thr287 and Asn363 | Ile282, Asn284, Lys288, Pro289, Asp354, Phe365, Por432, Tyr433, and Phe434 |
Treatment | Exposure Period (Hours) | LC 50 Value in mg/L (95% CL) |
---|---|---|
Cotton seed cake | 12 | 3362.85 |
24 | 1749.67 | |
36 | 873.05 | |
48 | 462.95 |
Treatment | Concentration (mg/L) | Number of Dead J2s (Mean ± SE) at Different Time Intervals (Hours) | |||
---|---|---|---|---|---|
12 | 24 | 36 | 48 | ||
Cotton seed cake | 250 | 8 c ± 1.53 (8.89%) | 13 c ± 1.53 (14.44%) | 19 d ± 1.53 (21.11%) | 30 c ± 2.08 (33.33%) |
500 | 12 c ± 2.08 (13.33%) | 18 c ± 2.52 (20.00%) | 30 c ± 2.31 (33.33%) | 47 b ± 2.08 (52.22%) | |
750 | 17 b ± 1.53 (18.89%) | 25 b ± 2.31 (27.78%) | 39 b ± 2.31 (43.33%) | 54 b ± 1.53 (60.00%) | |
1000 | 25 a ± 2.08 (27.78%) | 37 a ± 1.73 (41.11%) | 51 a ± 3.21 (56.67%) | 67 a ± 2.52 (74.44%) | |
DW | 0 d ± 0 (0.00%) | 0 d ± 0 (0.00%) | 0 e ± 0 (0.00%) | 0 d ± 0 (0.00%) | |
Df | 4 | 4 | 4 | 4 | |
Sum of Squares | 1059.60 | 2271.60 | 4556.40 | 8019.60 | |
Mean Squares | 264.90 | 567.90 | 1139.10 | 2004.90 | |
F-Calculated | 36.79 | 74.72 | 81.36 | 123.75 | |
Significance | 0.00001 | 0.0000 | 0.0003 | 0.0002 |
Treatment | Concentrations (mg/L) | Number of Penetrated J2s (Mean ± SE) at Different Time Intervals (Days) | |
---|---|---|---|
3 | 5 | ||
Cotton seed cake | 250 | 48 a ± 2.08 (40.00%) | 54 a ± 2.52 (32.50%) |
500 | 39 b ± 2.08 (51.25%) | 45 b ± 2.65 (43.75%) | |
750 | 30 c ± 2.31 (62.50%) | 37 bc ± 2.08 (53.75%) | |
1000 | 25 d ± 1.53 (68.75%) | 29 c ± 1.73 (63.75%) | |
Df | 3 | 3 | |
Sum of Squares | 927 | 1034.25 | |
Mean Squares | 309 | 344.75 | |
F-Calculated | 15.84 | 18.89 | |
Significance | 0.001 | 0.0005 |
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Almutairi, F.M.; Khan, A.; Ajmal, M.R.; Khan, R.H.; Khan, M.F.; Lal, H.; Ullah, M.F.; Ahmad, F.; Ahamad, L.; Khan, A.; et al. Phytochemical Analysis and Binding Interaction of Cotton Seed Cake Derived Compounds with Target Protein of Meloidogyne incognita for Nematicidal Evaluation. Life 2022, 12, 2109. https://doi.org/10.3390/life12122109
Almutairi FM, Khan A, Ajmal MR, Khan RH, Khan MF, Lal H, Ullah MF, Ahmad F, Ahamad L, Khan A, et al. Phytochemical Analysis and Binding Interaction of Cotton Seed Cake Derived Compounds with Target Protein of Meloidogyne incognita for Nematicidal Evaluation. Life. 2022; 12(12):2109. https://doi.org/10.3390/life12122109
Chicago/Turabian StyleAlmutairi, Fahad M., Amir Khan, Mohammad Rehan Ajmal, Rizwan Hasan Khan, Mohd Farhan Khan, Hira Lal, Mohammad Fahad Ullah, Faheem Ahmad, Lukman Ahamad, Arshad Khan, and et al. 2022. "Phytochemical Analysis and Binding Interaction of Cotton Seed Cake Derived Compounds with Target Protein of Meloidogyne incognita for Nematicidal Evaluation" Life 12, no. 12: 2109. https://doi.org/10.3390/life12122109