Potent VEGFR-2 inhibitors for resistant breast cancer: a comprehensive 3D-QSAR, ADMET, molecular docking and MMPBSA calculation on triazolopyrazine derivatives.

Front Mol Biosci · 2023 · PMC10702966 · PMID 38074087

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an increasing trendno p-value reported

The resulting RMSD plot for 4ASD-Mol22 and 4ASD-T01 showed an increasing trend with increasing RMSD values between 0 and 25 ns, ranging from 0.10 to 0.30 nm, indicating that the compounds were adapting to a new conformation within the binding pocket ( Aljuaid et al., 2022 ).

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