Exploring the inhibitory potential of xanthohumol on MEK1/2: a molecular docking and dynamics simulation investigation

Exploring the inhibitory potential of xanthohumol on MEK1/2: a molecular docking and dynamics simulation investigation

Background and purpose: Xanthohumol (Xn), a small molecule found in Humulus lupulus, has shown promise as an anti-cancer compound. This in silico study was performed to understand the mechanism of action of Xn as a natural compound on MEK1/2 by simulation. Experimental approach: After ligand and pro...

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Main Authors: Zohreh Gholizadeh Siahmazgi, Shiva Irani, Ali Ghiaseddin, Fereshteh Soutodeh, Zahra Gohari, Jaber Afifeh, Amirreza Pashapouryeganeh, Hilda Samimi, Mahmood Naderi, Parviz Fallah, Vahid Haghpanah
Format: Article
Language:English
Published: Wolters Kluwer Medknow Publications 2024-12-01
Series:Research in Pharmaceutical Sciences
Subjects:
active site
mek1
mek2
molecular dynamic simulation
xanthohumol
Online Access:https://journals.lww.com/10.4103/RPS.RPS_38_24
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