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Original Research

Published on 22 Jan 2024

Integrating computational methods guided the discovery of phytochemicals as potential Pin1 inhibitors for cancer: pharmacophore modeling, molecular docking, MM-GBSA calculations and molecular dynamics studies

in Medicinal and Pharmaceutical Chemistry

  • Abdulrahim A. Alzain
  • Fatima A. Elbadwi
  • Tagyedeen H. Shoaib
  • Asmaa E. Sherif
  • Wadah Osman
  • Ahmed Ashour
  • Gamal A. Mohamed
  • Sabrin R. M. Ibrahim
  • Eun Joo Roh
  • Ahmed H. E. Hassan
Integrating computational methods guided the discovery of phytochemicals as potential Pin1 inhibitors for cancer: pharmacophore modeling, molecular docking, MM-GBSA calculations and molecular dynamics studies
Frontiers in Chemistry
doi 10.3389/fchem.2024.1339891
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  • 2 citations