Screening and evaluation of novel DPP-IV inhibitory peptides in goat milk based on molecular docking and molecular dynamics simulation

Screening and evaluation of novel DPP-IV inhibitory peptides in goat milk based on molecular docking and molecular dynamics simulation

Virtual screening techniques have gained much attention as a means of studying bioactive peptides. This study aimed to screen DPP-IV inhibitor peptides in goat milk after simulated digestion in vitro combined with molecular docking and dynamics simulations. By evaluating the docking energy and activ...

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Bibliographic Details
Main Authors: Kuo Dang, Jing Lan, Yanli Wang, Daodong Pan, Lihui Du, Shikun Suo, Yali Dang, Xinchang Gao
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Food Chemistry: X
Subjects:
Goat milk
Virtual screening
In vitro simulated digestion
DPP-IV inhibitor
Inhibitory mode
Online Access:http://www.sciencedirect.com/science/article/pii/S259015752500063X
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