Molecular Modeling of µ Opioid Receptor Ligands with Various Functional Properties: PZM21, SR-17018, Morphine, and Fentanyl—Simulated Interaction Patterns Confronted with Experimental Data

Molecular Modeling of µ Opioid Receptor Ligands with Various Functional Properties: PZM21, SR-17018, Morphine, and Fentanyl—Simulated Interaction Patterns Confronted with Experimental Data

Molecular modeling approaches are an indispensable part of the drug design process. They not only support the process of searching for new ligands of a given receptor, but they also play an important role in explaining particular activity pathways of a compound. In this study, a comprehensive molecu...

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Bibliographic Details
Main Authors: Sabina Podlewska, Ryszard Bugno, Lucja Kudla, Andrzej J. Bojarski, Ryszard Przewlocki
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Molecules
Subjects:
µ opioid receptor
molecular dynamics
docking
interaction fingerprints
biased agonists
SR-17018
Online Access:https://www.mdpi.com/1420-3049/25/20/4636

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https://www.mdpi.com/1420-3049/25/20/4636

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