Toward α‐1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6
Toward α‐1,3/4 fucosyltransferases targeted drug discovery: In silico uncovering of promising natural inhibitors of fucosyltransferase 6
- June 14, 2026
- Posted by: Stem Skills Lab
Journal of Cellular Biochemistry · 2023 · Cited 5 times
Jorge Samuel Leon Magdaleno, Ravneet K. Grewal, José L. Medina‐Franco, Romina Oliva, Abdul Rajjak Shaikh, Luigi Cavallo, Mohit Chawla
Fucosyltransferase 6 (FUT6) is over-active in several cancers, making it a drug target — but it lacks an experimental 3D structure. This study modelled FUT6 with AlphaFold, virtually screened a natural-product database for candidate inhibitors, and ran molecular dynamics to test how stably they bind. Three natural compounds showed binding comparable to known FUT6 inhibitors, offering promising leads for experimental follow-up.
Learn these methods hands-on
This is the kind of computational work the StemSkills team publishes. Our live Molecular Modeling & MD Simulations cohort teaches you to do it yourself, mentored by published researchers.
See the bootcamp →