Integration of pharmacophore-based virtual screening, molecular docking, ADMET analysis, and MD simulation for targeting EGFR: A comprehensive drug discovery study using commercial databases.
The epidermal growth factor receptor (EGFR), a crucial component of cellular signaling pathways, is frequently dysregulated in a range of cancers. EGFR targeting has become a viable approach in the development of anti-cancer medications. This study employs an integrated approach to drug discovery, c...
Saved in:
| Main Authors: | Abdullah R Alanzi, Ashaimaa Y Moussa, Mohammed S Alsalhi, Tayyab Nawaz, Ijaz Ali |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2024-01-01
|
| Series: | PLoS ONE |
| Online Access: | https://doi.org/10.1371/journal.pone.0311527 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Discovery of ROCK2 inhibitors through computational screening of ZINC database: Integrating pharmacophore modeling, molecular docking, and MD simulations.
by: Abdullah R Alanzi, et al.
Published: (2025-01-01) -
In-silico based discovery of potential Keap1 inhibitors using the strategies of pharmacophore screening, molecular docking, and MD simulation studies
by: Ekta Singh, et al.
Published: (2024-09-01) -
Pharmacophore screening, molecular docking, and MD simulations for identification of VEGFR-2 and c-Met potential dual inhibitors
by: Junmin Dong, et al.
Published: (2025-03-01) -
Novel agents inhibiting the Marburg nucleoprotein using molecular docking, ADMET, MD, and quantum DFT methods
by: Haiwang Djefoulna Victorien Hermann, et al.
Published: (2025-07-01) -
Screening Enamine Fragments Library in the Quest for Novel SOS2 Inhibitors: Pharmacophore Modelling, Molecular Docking, MMGBSA Calculations, and MD Simulation
by: Abdulrahim A. Alzain, et al.
Published: (2025-06-01)