Asset Details
Do you wish to reserve the book?
Molecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti‐Dengue Virus Activity
Hey, we have placed the reservation for you!
By the way, why not check out events that you can attend while you pick your title.
Oops! Something went wrong.
Looks like we were not able to place the reservation. Kindly try again later.
Are you sure you want to remove the book from the shelf?
Molecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti‐Dengue Virus Activity
Do you wish to request the book?
Molecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti‐Dengue Virus Activity
Please be aware that the book you have requested cannot be checked out. If you would like to checkout this book, you can reserve another copy
We have requested the book for you!
Your request is successful and it will be processed during the Library working hours. Please check the status of your request in My Requests.
Oops! Something went wrong.
Looks like we were not able to place your request. Kindly try again later.
Journal Article
Molecular Docking and Dynamic Studies of Amide Derivatives from Cinnamic Acid with Potential Anti‐Dengue Virus Activity
2025
Overview
Dengue, classified as a neglected tropical disease and transmitted by Aedes mosquitoes, remains a significant global health challenge, often evolving into severe clinical manifestations such as hemorrhagic fever. Despite its widespread impact, no antiviral therapy has been approved to date, highlighting the urgent need for effective and accessible treatment options. In the present work, computational analysis is performed on an in‐house library of easily synthesized caffeic acid phenethyl ester analogs, which exhibit potential activity against the viral envelope (E) protein, a critical mediator of dengue virus entry and membrane fusion. Among them, LQM778 demonstrated consistent stability within the protein–ligand complex during molecular dynamics simulations. This finding provides a foundation for in vitro studies and future structural optimizations that could transform the landscape of antiviral development against dengue. A library of easily synthesizable CAPE analogs was screened in silico against the dengue virus envelope protein. Compound LQM778 showed stable binding and promising inhibitory potential. This study highlights LQM778 as a candidate for future in vitro validation and structural optimization toward accessible antiviral agents against dengue.
Publisher
John Wiley & Sons, Inc,Wiley-VCH
Subject
/ Antiviral Agents - chemistry
/ Antiviral Agents - pharmacology
/ dengue
/ Humans
/ Ligands
/ Molecular Docking Simulation
/ Molecular Dynamics Simulation
/ Peptides
/ Proteins
/ Viral Envelope Proteins - antagonists & inhibitors
/ Viral Envelope Proteins - chemistry
/ Viral Envelope Proteins - metabolism
/ Viruses
