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Nature's Secret Weapon: Using Plants to Fight Cancer
Saturday, November 23, 2024
Scientists were curious about natural plant compounds that could rein in CDK13. They used a technique called virtual high throughput screening to check out about 90, 000 compounds from a database called ZINC. By looking at how these compounds dock with CDK13 and their binding strength, they narrowed down the list to 50 promising candidates.
After testing these compounds for their biological activity, 10 stood out. One compound, ZINC02136558, showed a strong connection with the active and binding sites of CDK13. To see how this might work in the body, they ran a simulation for 200 nanoseconds. The results were positive: ZINC02136558 could be a vital lead for creating drugs to inhibit CDK13 and help manage cancer.
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