Molecular Docking: A Technique For Discovering Telomerase Inhibitors For Cancer Treatment
Year: 2024
Type: article
Abstract: Background: The telomere is a distinct functional complex found at the ends of linear eukaryotic chromosomes, consisting of tandem repeat DNA sequences and related proteins. It is critical that linear eukaryotic genomes remain intact and stable. Telomere length maintenance and regulation have a function in both normal cell ageing and illness in humans. Aim: The primary goal of molecular docking is to achieve a ligand-receptor complex with optimal shape and lower binding free energy. Method: Predicts a ligand's binding affinity to a target protein molecule. It is a critical step in the in-silico drug design process, giving information regarding protein-ligand interactions in the form of binding affinity scores and binding poses. Result: The ligand docking tests indicated that the binding pocket comprises the amino acid residues ARG486, ILE550, MET482, ILE497, TYR551, LEU554, and PHE494.Finally, these compounds have demonstrated favorable interactions with telomerase. Conclusion: These findings suggest these derivatives might be used in future studies to develop novel anticancer drugs.
Author: Vidya Magar*1, Karna Khavane2, Shailesh Patwekar3, Santosh Shelke1
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6967944004
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