A comparative study of 5- fluorouracil, doxorubicin, methotrexate, paclitaxel for their inhibition ability for Mpro of nCoV: Molecular docking and molecular dynamics simulations

Journal of the Indian Chemical Society · 2022 · PMC9632266

Europe PMC

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closest p

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quite significantno p-value reported

The docking results were quite significant and the binding energy of 5-fluorouracil, doxorubicin, methotrexate and paclitaxel against Mpro of nCoV are −74.5918, −121.89, −111.43, and −99.9097 kcal/mol respectively.

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