Evaluation of fluorinated phospholipid analogs: A study on ADMET profiles, molecular docking and dynamics simulation in anticancer therapy

Evaluation of fluorinated phospholipid analogs: A study on ADMET profiles, molecular docking and dynamics simulation in anticancer therapy

Fluorinated phospholipid analogs Edelfosine and Ilmofosine drug reveal expressive potential as antineoplastic factors though targeted interaction with heat shock protein (HSP70KDa1A), an essential mediator in cancer pathophysiology. Using evolved computational approaches, this research evaluated the...

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Bibliographic Details
Main Authors: Saqib Ishaq, Obaid Habib, Abdul Aziz, Raheel Tahir, Hira Mushtaq, Said Hassan, Sarah Sarwar, Mohammad S. Mubarak, Ajaz Ahmad, Amin Ullah
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Heliyon
Subjects:
ADMET properties
Toxicity
Admetsar
CLC-Pred
Molecular docking
MD simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844025001197
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