Skip to content
Log in
Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Computational Analysis of Peptide Binding on Dengue-Associated Host Proteins POLR2A and Elongin C: Network Pharmacology, Molecular Docking, and Dynamics Simulation Insights

S. M. Zaidh M. H. Mohamed Asrarullah Kathiravan Muthukumaradoss N. Parvin N. Irfan Mohan Maruga Raja Muthu Kumaradoss
Aug 2026 · Journal of Pharmaceutical Innovation · Vol 22 · 0 citations · 56 references

TL;DR

A protein-protein interaction network from the genes associated with the dengue infection was constructed and proteins were ranked by the topological centrality to identify hub regulators and validated POLR2A and ELOC as hub genes in the transcriptional regulation network associated with dengue.

DOI Semantic Scholar
View source

Similar papers

Open access Sep 2026

Residue-level predictions of the protein-protein interactions of the hepatitis B virus core and envelope proteins

This work predicted the interactions between the capsid (Cp) and envelope proteins (S/M/LHBs) of the hepatitis B virus using a recently established mutation-driven deep-learning model, as well as coevolution signatures that serve as markers of physical interactions and/or functional relationships.

Carolanne van Belleghem, S. Rescalli, Mathilde Briday et al. · 0 citations
Sep 2026

Computational discovery of novel human rhinovirus 3 C protease inhibitors: molecular docking, dynamic simulations, free energy landscape, MMPBSA and ADMET analysis.

Docking analysis identified two lead compounds that favorably occupied the catalytic pocket and formed stabilizing interactions with key residues, including His40, Glu71, and Cys147, in comparison with the reference inhibitor rupintrivir as promising non-covalent HRV 3Cpro inhibitor candidates for further experimental...

Hafs Essaadi, Abdelfateh Chourir, Jouhaina Kourou et al. · 0 citations
Open access Aug 2026

Identification of Potential SARS-CoV-2 Main Protease (MPro) Inhibitors Through Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Approaches

The findings suggest that Lig-1, followed by Lig-3, may serve as promising computational lead compounds targeting SARS-CoV-2 MPro, representing promising candidates for further experimental validation.

Mohd Yasir Khan, Farah Maarfi, A. Shah et al. · 0 citations
Open access Jul 2026

Structural and energetics insights into high-affinity inhibitors binding to human metapneumovirus nucleocapsid protein: A one-microsecond molecular dynamics simulation study

Human metapneumovirus (HMPV) is a major cause of acute respiratory infections, especially among children and immunocompromised patients, but until now, no antiviral therapy has been approved. Nucleocapsid (N) protein, an ultra-conserved protein critical to the encapsidation of RNA and replication, is an attractive anti...

M. Saeed, Gulam Rabbani, Mohamed Shantier et al. · 0 citations
Sep 2026

Molecular Docking and Dynamics Analyses for Evaluation of Interactions Between the Human Receptor and Viral Proteins of Enterovirus A71

Interactions between EV‐A71 proteins and the human receptor SCARB2 and the human receptor SCARB2 using molecular docking and molecular dynamics simulations under balanced, electrostatic, hydrophobic, and VdW+Elec conditions are examined to reveal key EV‐A71–SCARB2 interaction mechanisms.

Roney Miah, Md. Nazim Uddin, Muhammad Nuh et al. · 0 citations

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.