Entropy estimation in acetylcholinesterase-donepezil interaction through topological indices: a graph theoretical perspective
K. B. Gayathri, S. Roy, K. Jyothish · 2026
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Description
Gayathri, Roy, and Jyothish used graph math to study how a common Alzheimer drug binds to an enzyme in the brain, in work published in 2026. They drew maps of the enzyme, the drug, and the pair joined together. For each map they worked out number scores that capture its shape and links.
All the scores showed a rise in a measure of disorder when the drug bound to the enzyme. Some scores tracked this rise best. The authors argue that this kind of count offers a fast, low cost way to judge how a drug and target fit. Such counts could help screen drugs in the early stages of design.
Catalog record
| CREATOR | K. B. Gayathri, S. Roy, K. Jyothish |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 28 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |