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Shama Khan is a researcher in molecular biology and computational drug discovery whose work centers on targeting protein kinases and microbial proteins for therapeutic development. Her studies integrate molecular docking, dynamics simulations, spectroscopy, and enzymatic assays to identify and validate small-molecule inhibitors relevant to cancer and infectious diseases.
A major focus of her research involves kinases such as PDK3, CDK6, MAPK7, PIM-1, and RAF1, highlighting natural compounds and phytochemicals as promising anticancer agents. Her publications demonstrate strength in combining in‑silico screening with biochemical validation, advancing candidates like myricetin, rutin, thymol, and thymoquinone as potential targeted therapies.
In parallel, she has contributed to antimicrobial research, including genomic and computational investigations of Klebsiella pneumoniae, addressing drug resistance and virulence. This dual emphasis on cancer biology and antimicrobial discovery reflects a translational approach aimed at identifying novel therapeutic leads for pressing global health challenges.
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