Status : Verified
| Personal Name | Olegario, Neil Karlo Z. |
|---|---|
| Resource Title | In silico identification of bioactive gibberellin ligands for GID1, a soluble rice receptor |
| Date Issued | 11 December 2019 |
| Abstract | Gibberellin is a phytohormone that has the function of aiding plant growth and development. It is known to improve the resilience of rice crops from drought and high salinity stresses. By binding to the GID1 receptor of rice, gibberellins will change the structure of GID1 to allow their newly formed complex to further attach with and degrade or inactivate DELLA (aspartate-glutamate-leucine-leucine-alanine) proteins that repress the growth of plants. Molecular docking and dynamics were employed in order to identify possible alternatives among the identified 132 gibberellin ligands for known bioactive references. Consensus docking experiments with AutoDock 4 and AutoDock Vina have indicated top-performing ligands that have high affinities to the GID1 receptor of rice. Molecular dynamics experiments with the top performing ligands using GROMACS, together with RMSD and RMSF calculations, have shown that possible substitutes for the commercially available gibberellins are GA30, GA2, GA10, GA82, U2, and GA20. Although they may not have higher affinities than that of GA3, they may be considered should cost and availability issues are encountered due to their similar or slightly better complex stabilities. Finally, as part of the scientific protocol, they are proposed to undergo further in vitro and in vivo experimentations for verification. |
| Degree Course | MS Chemical Engineering |
| Language | English |
| Keyword | Gibberellins; Molecular Modeling; Rice; Molecular Docking; Molecular Dynamics |
| Material Type | Thesis/Dissertation |
Preliminary Pages
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Category : F - Regular work, i.e., it has no patentable invention or creation, the author does not wish for personal publication, there is no confidential information.
Access Permission : Open Access