ArticleMicrobial pathogenesis2022
Repurposing of anti-lung cancer drugs as multi-target inhibitors of SARS-CoV-2 proteins: An insight from molecular docking and MD-simulation study.
Article in Microbial pathogenesis, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Unlocking the therapeutic potential of Origanum majorana through GC-MS and computational analysis to identify EGFR inhibitors for breast cancer.Scientific reports · 2026Article
- Exploring the Neurotherapeutic Potential of Bacillus-derived Macrolactins as NMDAR Antagonists for Alzheimer's Disease: Network Pharmacology and Molecular Modeling Insights.Current drug discovery technologies · 2026Article
- Discovery of selective HDAC6 inhibitors driven by artificial intelligence and molecular dynamics simulation approaches.Journal of pharmaceutical analysis · 2025Article
- Article
- An In-Silico Drug Designing Approach Attempted on a Newly Synthesized Co(II) Complex along with its Other Biological Activities: A Combined Investigation of both Experimental and Theoretical Aspects.Journal of fluorescence · 2025Article
- Synthesis and Characterization of Zn(II) Complex of 4-chloro-2-(((2-phenoxyphenyl)imino)methyl)phenol and its Biological Efficacies: DNA Interaction, ADMET, DFT and Molecular Docking Study.Journal of fluorescence · 2025Article
- Elucidating the potential of EGFR mutated NSCLC and identifying its multitargeted inhibitors.Scientific reports · 2025Article
- Identification of Potent Inhibitors Targeting EGFR and HER3 for Effective Treatment of Chemoresistance in Non-Small Cell Lung Cancer.Molecules (Basel, Switzerland) · 2023Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Herein we have selected seventeen anti-lung cancer drugs to screen against Mpro, PLpro and spike glycoproteins of SARS-CoV-2to ascertain the potential therapeutic agent against COVID-19. ADMET profiling were employed to evaluate their pharmacokinetic properties. Molecular docking studies revealed that Capmatinib (CAP) showed highest binding affinity against the selected proteins of SARS-CoV-2. Molecular Dynamics (MD) simulation and the analysis of RMSD, RMSF, and binding energy confirmed the abrupt conformational changes of the proteins due to the presence of this drug. These findings provide an opportunity for doing advanced experimental research to evaluate the potential drug to combat COVID-19.
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