Computational Modelling of Tunicamycin C Interaction with Potential Protein Targets: Perspectives from Inverse Docking with Molecular Dynamic Simulation

Computational Modelling of Tunicamycin C Interaction with Potential Protein Targets: Perspectives from Inverse Docking with Molecular Dynamic Simulation

Protein glycosylation plays a crucial role in cancer biology, influencing essential cellular processes such as cell signalling, immune recognition, and tumour metastasis. Therefore, this study highlights the therapeutic potential of targeting glycosylation in cancer treatment, as modulating these mo...

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Bibliographic Details
Main Authors: Vivash Naidoo, Ikechukwu Achilonu, Sheefa Mirza, Rodney Hull, Jeyalakshmi Kandhavelu, Marushka Soobben, Clement Penny
Format: Article
Language:English
Published: MDPI AG 2025-05-01
Series:Current Issues in Molecular Biology
Subjects:
glycosylation
Tunicamycin
thymidine kinase 1
protein kinase A
molecular dynamics
therapeutic targets
Online Access:https://www.mdpi.com/1467-3045/47/5/339
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