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

Rajeswari Kalepu¹, Azzmer Azzar Abdul Hamid², Maizom Hassan¹

¹Institute of Systems Biology (INBIOSIS), Universiti Kebangsaan Malaysia, Bangi, Selangor, Malaysia.

|November 27, 2025

Summary

This study introduces a computational protocol to identify, annotate, and model insect chemosensory proteins, like gustatory receptors, aiding pest management strategies.

Keywords:

Biocontrol Bioinformatics protocol ColabFold Gustatory receptors OmicsBox Pest management Protein structure prediction Red palm weevil (Rhynchophorus ferrugineus)

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Published on: December 30, 2014

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.