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March 8, 2026Open Access

Computational Modeling of Cellulose Synthase Heterotrimer Assembly and Identification of Antimicrobial Compounds Targeting Interface Sites in Phytophthora infestans

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Authors

BCBiju Vadakkemukadiyil ChellappanPSP. R. ShidhiVAV. S. Amritha

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Overview

Computational modeling reveals antimicrobial targets in Phytophthora infestans, suggesting new disease control strategies.

Key Points

  • This research aims to understand how cellulose synthase heterotrimers are assembled in Phytophthora infestans and identify potential antimicrobial compounds.
  • Used AlphaFold-Multimer for structural modeling of PiCesA heterotrimer
  • Employed molecular docking to identify ligand-binding sites
  • Analyzed the transmembrane architecture and cytosolic organization of the complex
  • Focused on N-terminal pleckstrin homology domains and glycosyltransferase-A domains
  • Resolved the structure of the PiCesA heterotrimer
  • Identified stable interactions between pleckstrin homology and glycosyltransferase-A domains
  • Proposed ligand-binding sites specific to the pathogen, distinct from plant cellulose synthases
  • Highlighted potential for pathogen-selective antimicrobial strategies

Cite This Study

Chellappan et al. (2026) studied this question.

synapsesocial.com/papers/69ada8b2bc08abd80d5bbebdhttps://doi.org/10.3390/jof12030192
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