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Integrated spectroscopic and quantum-chemical analysis of mycophenolate mofetil and mycophenolic acid with insights into protein binding and metal nanocluster interactions
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DOI：10.1016/j.molliq.2026.129645.png)
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Abstract
En 中文
• Mycophenolate mofetil and mycophenolic acid's molecular properties through both experimental and computational approaches. • Docking studies were conducted to evaluate interactions of MMF and MPA with key therapeutic targets. • FMOs revealed that MPA exhibits a slightly higher electrophilic character whereas MMF shows stronger nucleophilic tendency.
Keywords:
Mycophenolate mofetil
Mycophenolic acid
Quantum-chemical analysis
Protein binding
Molecular interactions
Journal
IF:
5.2
Papers:
2.5W
Citations:
9.0W
Organization
Cited Papers