# Molecular docking analysis of cellulose from Bacillus species with cellotetraose

**Authors:** Nikita Chordia Golchha, Pratibha Maravi, Hasanain Abdulhameed Odhar, Afreen Shaikh

PMC · DOI: 10.6026/973206300210947 · Bioinformation · 2025-05-31

## TL;DR

This paper analyzes how cellulose from Bacillus species interacts with cellotetraose to explore its potential in industrial applications.

## Contribution

The study reports novel molecular docking features of cellulase with cellotetraose.

## Key findings

- Molecular docking analysis of cellulose with cellotetraose was conducted.
- Binding features of cellulase with cellotetraose were identified.
- Findings suggest potential industrial applications of cellulose derivatives.

## Abstract

Cellulose is an unbranched glucose polymer and has great potential for bioconversion to value-added bio products. Cellulose is the
most dominating agricultural waste that can be degraded by cellulase which is produced by cellulolytic bacteria such as the Bacillus
species. The binding efficacy with the substrate suggests the choice of the substrate that can be used for various industrial
applications such as biofuel production, food and feed industry, brewing, pulp and paper, textile, laundry and agriculture. Therefore,
it is of interest to describe the molecular docing analysis of cellobiose, cellotetriose, cellotetraose and laminaribiose with different
cellulosederivatives such as endo-1, 4-beta-D-glucanase, exo-1, 4-beta-D-glucanase and beta-glucosidase. Thus, the molecular binding
features of cellulase with cellotetraose are reported.

## Linked entities

- **Proteins:** BGLU25 (beta glucosidase 25)
- **Chemicals:** cellobiose (PubChem CID 439178), cellotetraose (PubChem CID 170125), laminaribiose (PubChem CID 122350)
- **Species:** Bacillus (taxon 1386)

## Full-text entities

- **Chemicals:** cellotetriose (-), Cellulose (MESH:D002482), cellotetraose (MESH:C048468), cellobiose (MESH:D002475), glucose polymer (MESH:D005936), laminaribiose (MESH:C014637)
- **Species:** Bacillus (genus) [taxon 55087]

## Full text

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## References

14 references — full list in the complete paper: https://tomesphere.com/paper/PMC12357687/full.md

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Source: https://tomesphere.com/paper/PMC12357687