Cargando…
Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV-2 main protease: an effort toward drug repurposing to combat COVID-19
The importance of the main protease (M(pro)) enzyme of SARS-CoV-2 in the digestion of viral polyproteins introduces M(pro) as an attractive drug target for antiviral drug design. This study aims to carry out the molecular docking, molecular dynamics studies, and prediction of ADMET properties of sel...
Autores principales: | Rai, Himanshu, Barik, Atanu, Singh, Yash Pal, Suresh, Akhil, Singh, Lovejit, Singh, Gourav, Nayak, Usha Yogendra, Dubey, Vikash Kumar, Modi, Gyan |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7882058/ https://www.ncbi.nlm.nih.gov/pubmed/33582935 http://dx.doi.org/10.1007/s11030-021-10188-5 |
Ejemplares similares
-
In silico ADMET, molecular docking and molecular simulation-based study of glabridin’s natural and semisynthetic derivatives as potential tyrosinase inhibitors
por: Kumari, Arti, et al.
Publicado: (2022) -
Identification of high affinity and low molecular alternatives of boceprevir against SARS-CoV-2 main protease: A virtual screening approach
por: Borkotoky, Subhomoi, et al.
Publicado: (2021) -
Molecular docking, QSAR and ADMET studies of withanolide analogs against breast cancer
por: Yadav, Dharmendra K, et al.
Publicado: (2017) -
Molecular interactions between Bos taurus interferon-τ1c and human type I interferon receptor
por: Jamwal, Vishawdeep Singh, et al.
Publicado: (2009) -
Editorial: Repurposed Drugs as Immune-Modulators to Combat Infectious Diseases
por: Mishra, Bibhuti B., et al.
Publicado: (2022)