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

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; howev...

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Autors principals:	P. Venkata Ramana, Rashmirekha Ram, Prasadarao Bobbili, Y. Rama Krishna, Rabinarayan Panda, Shouri Dominic, Pratap Kumar Dakua, Siddharth Kumar
Format:	Artigo
Idioma:	Inglês
Publicat:	Nature Portfolio 2026-07-01
Col·lecció:	Scientific Reports
Matèries:	FT-IR and UV–Vis Afinitor Immunosuppressant FK506 FKBP-Rapamycin binding domain Molecular docking
Accés en línia:	https://doi.org/10.1038/s41598-026-56242-w
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