Molecular insights into Dalbavancin's blockade of ACE2-spike protein interaction in SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused a global pandemic and a serious impact on human life and health. The spread of this virus, coupled with the emergence of many mutants, has posed increasingly formidable challenges to the design and development of antiviral drugs. Re...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2024-12, Vol.26 (48), p.29853-29862
Hauptverfasser:	Liu, Zhongbo, Lv, Yuxi, Luo, Song, Duan, Lili
Format:	Artikel
Sprache:	eng
Schlagworte:	Affinity Angiotensin-Converting Enzyme 2 - chemistry Angiotensin-Converting Enzyme 2 - metabolism Antiviral Agents - chemistry Antiviral Agents - metabolism Antiviral Agents - pharmacology Binding Binding energy Binding Sites COVID-19 - virology COVID-19 Drug Treatment Drugs Dynamic structural analysis Free energy Humans Molecular dynamics Molecular Dynamics Simulation Molecular structure Protein Binding Proteins Residues SARS-CoV-2 - drug effects SARS-CoV-2 - metabolism Severe acute respiratory syndrome coronavirus 2 Spike Glycoprotein, Coronavirus - chemistry Spike Glycoprotein, Coronavirus - metabolism Teicoplanin - analogs & derivatives Teicoplanin - chemistry Teicoplanin - metabolism Teicoplanin - pharmacology Thermodynamics Viral diseases
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