Unlocking the Therapeutic Power of Ayurvedic Plants with Advanced Computational Techniques for Ovarian Cancer Treatment Targeting FK506-Binding

Authors

  • Saba Bilal Institute of Biochemistry, University of Balochistan, Quetta 87300, Pakistan
  • Aamir Rasool Department of Pharmacy, University of Balochistan, Quetta 87300, Pakistan
  • Asadullah Department of Urology, Sandeman Provisional Hospital, Quetta 87300, Pakistan.
  • Maqbool Ahmed Bolan university of medical and health sciences (BUMHS), Quetta 87300, Pakistan.
  • Kaleem Ullah Department of Microbiology, University of Balochistan, Quetta 87300, Pakistan.
  • Robina Manzor Department of biotechnology and Bioinformatics, LUAWMS, uthal 90150, Pakistan.

DOI:

https://doi.org/10.52461/ijnms.v3i4.4149

Abstract

Objectives: The objectives of current study was FK506-binding protein (FKBP) can be used as a treatment target for ovarian cancer.

Methods: In this project, we aim to use the medicinal potential of Ayurvedic botanical to develop new medicines for ovarian cancer that target fkbp. The methodology combines a variety of computational methods and molecular modeling techniques to make it easier to identify and analyze bioactive molecules that are highly specific to Fkbp.

Results: The molecular operating environment was used to view and enhance the structure of Fkbp (ID: 7BPZ), which was downloaded from pdb for docking Purposes. The structure was cleared of all water molecules and excess ligands. Protonation was used using default parameters to fill up the blank gaps.

Conclusion: The present investigation effectively investigated the molecular interaction Potential of specific bioactive compounds derived from south African Ayurvedic plants, against FKBP protein that target ovarian cancer.

Additional Files

Published

2024-09-30

Issue

Vol. 3 No. 4 (2024): International Journal of Natural Medicine and Health Sciences

Section

Articles

License

Copyright (c) 2025 Saba Bilal, Aamir Rasool, Asadullah, Maqbool Ahmed, Kaleem Ullah, Robina Manzor

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