Identification of novel SARS-CoV-2 3CLpro inhibitors by molecular docking, in vitro assays, molecular dynamics simulations and DFT analyses
IntroductionSARS-CoV-2 pandemic has presented a significant threat to global health and the economy, necessitating urgent efforts to develop effective antiviral drugs. The main protease (3CLpro) of SARS-CoV-2 is a critical target for antiviral therapy due to its essential role in viral replication.M...
Saved in:
Main Authors: | Keli Zong (Author), Chaochun Wei (Author), Wei Li (Author), Jiajun Ruan (Author), Susu Zhang (Author), Jingjing Li (Author), Xiaojing Liu (Author), Xu Zhao (Author), Ruiyuan Cao (Author), Hong Yan (Author), Xingzhou Li (Author) |
---|---|
Format: | Book |
Published: |
Frontiers Media S.A.,
2024-10-01T00:00:00Z.
|
Subjects: | |
Online Access: | Connect to this object online. |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Design, Synthesis, Evaluation and Molecular Dynamics Simulation of Dengue Virus NS5-RdRp Inhibitors
by: Keli Zong, et al.
Published: (2023) -
Novel saccharin analogs as promising antibacterial and anticancer agents: synthesis, DFT, POM analysis, molecular docking, molecular dynamic simulations, and cell-based assay
by: Magda H. Abdellattif, et al.
Published: (2022) -
Hydrazide-hydrazones as novel antioxidants - in vitro, molecular docking and DFT studies
by: Emilio Mateev, et al.
Published: (2024) -
3CLpro inhibitors: DEL-based molecular generation
by: Feng Xiong, et al.
Published: (2022) -
Molecular docking, drug-likeness and DFT study of some modified tetrahydrocurcumins as potential anticancer agents
by: Ahmed Mahal, et al.
Published: (2024)