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Shouri Dominic

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Quantitative correlation of spectroscopic signatures with ligand–protein interactions in anti-cancer drug Afinitor: an integrated experimental–computational study

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By P. Venkata Ramana, Y. Krishna, Rabinarayan Panda, Pratap Kumar Dakua, Siddharth S. Kumar, Rashmirekha Ram, Prasadarao Bobbili, Shouri Dominic
| Nature Verified
Abstract A detailed molecular-level understanding of anticancer drugs is essential for improving therapeutic efficacy and guiding rational drug design. Everolimus (Afinitor), a clinically important inhibitor of the mammalian target of rapamycin (mTOR) pathway, is widely used in cancer therapy; however, a quantitatively grounded relationship between its spectroscopic characteristics and ligand–protein interactions remains insufficiently explored.
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