A Step-by-Step Computational Protocol for Functional Annotation and Structural Modelling of Insect Chemosensory...

Area of Science:

• Insect molecular biology
• Computational biology
• Structural biology

Background:

• Chemosensory proteins are vital for insect behaviors, but experimental structures are scarce, especially in pest species.
• Studying these proteins is crucial for understanding insect ecology and developing pest control methods.

Purpose of the Study:

• To present a reproducible computational protocol for identifying, functionally annotating, and structurally modeling insect chemosensory proteins.
• To demonstrate the protocol's utility using gustatory receptors from the red palm weevil (Rhynchophorus ferrugineus).

Main Methods:

• Integration of publicly available sequence data with OmicsBox for functional annotation.
• Utilizing ColabFold for high-confidence protein structure prediction.
• Development of a step-by-step framework applicable to various insect datasets.

Main Results:

• A streamlined workflow combining functional annotation and structure prediction was established.
• The protocol generates structurally reliable protein models for gustatory receptors.
• The framework is broadly applicable across insect species, including non-model organisms.

Conclusions:

• The protocol enables reproducible studies of insect chemosensory proteins, bridging annotation and structural characterization.
• Generated models are suitable for downstream applications like ligand docking and molecular dynamics simulations.
• This approach supports the development of novel pest management strategies.