Heterocyclic Substitutions Greatly Improve Affinity and Stability of Folic Acid towards FRα. An In Silico Insight

Heterocyclic Substitutions Greatly Improve Affinity and Stability of Folic Acid towards FRα. An In Silico Insight

Folate receptor alpha (FRα) is known as a biological marker for many cancers due to its overexpression in cancerous epithelial tissue. The folic acid (FA) binding affinity to the FRα active site provides a basis for designing more specific targets for FRα. Heterocyclic rings have been shown to inter...

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Bibliographic Details
Main Authors: Mohammad G. Al-Thiabat, Fadi G. Saqallah, Amirah Mohd Gazzali, Noratiqah Mohtar, Beow Keat Yap, Yee Siew Choong, Habibah A Wahab
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Molecules
Subjects:
folate receptor alpha
folic acid and antifolates
molecular docking
molecular dynamics
MM-PBSA
H-bonds
Online Access:https://www.mdpi.com/1420-3049/26/4/1079

Internet

https://www.mdpi.com/1420-3049/26/4/1079

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