Cargando…

Small Molecules to Destabilize the ACE2-RBD Complex: A Molecular Dynamics Study for Potential COVID-19 Therapeutics

The ongoing COVID-19 pandemic has infected millions of people, claimed hundreds of thousands of lives, and made a worldwide health emergency. Understanding the SARS-CoV-2 mechanism of infection is crucial in the development of potential therapeutics and vaccines. The infection process is triggered b...

Descripción completa

Detalles Bibliográficos
Autores principales:	Razizadeh, Meghdad, Nikfar, Mehdi, Liu, Yaling
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	ChemRxiv 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7814830/ https://www.ncbi.nlm.nih.gov/pubmed/33469570 http://dx.doi.org/10.26434/chemrxiv.13377119

Ejemplares similares

Small molecule therapeutics to destabilize the ACE2-RBD complex: A molecular dynamics study
por: Razizadeh, Meghdad, et al.
Publicado: (2021)

Quantitative absorption imaging of red blood cells to determine physical and mechanical properties
por: Paul, Ratul, et al.
Publicado: (2020)

ACE2 : S1 RBD Interaction-Targeted Peptides and Small Molecules as Potential COVID-19 Therapeutics
por: Chitsike, Lennox, et al.
Publicado: (2021)

In silico study of intrinsic dynamics of full-length apo-ACE2 and RBD-ACE2 complex
por: Liu, Qing, et al.
Publicado: (2021)

Scanning the RBD-ACE2 molecular interactions in Omicron variant
por: Rath, Soumya Lipsa, et al.
Publicado: (2022)

Entropic contribution of ACE2 glycans to RBD binding
por: Mugnai, Mauro L., et al.
Publicado: (2023)

SARS-CoV-2 variants impact RBD conformational dynamics and ACE2 accessibility
por: Valério, Mariana, et al.
Publicado: (2022)

Large interfacial relocation in RBD-ACE2 complex may explain fast-spreading property of Omicron
por: Shirzadeh, Maryam, et al.
Publicado: (2022)

Blocking key mutated hotspot residues in the RBD of the omicron variant (B.1.1.529) with medicinal compounds to disrupt the RBD-hACE2 complex using molecular screening and simulation approaches
por: Khan, Abbas, et al.
Publicado: (2022)

Small Molecule Inhibition of SAMHD1 dNTPase by Tetramer Destabilization
por: Seamon, Kyle J., et al.
Publicado: (2014)

A High-Throughput Assay for Small Molecule Destabilizers of the KRAS Oncoprotein
por: Carver, Joseph, et al.
Publicado: (2014)

Protocol for Designing Small-Molecule-Regulated Destabilizing Domains for In Vitro Use
por: Ramadurgum, Prerana, et al.
Publicado: (2020)

In silico screening of known small molecules to bind ACE2 specific RBD on Spike glycoprotein of SARS-CoV-2 for repurposing against COVID-19
por: BR, Bharath, et al.
Publicado: (2020)

Effect of Delta and Omicron Mutations on the RBD-SD1 Domain of the Spike Protein in SARS-CoV-2 and the Omicron Mutations on RBD-ACE2 Interface Complex
por: Ching, Wai-Yim, et al.
Publicado: (2022)

Non-antibiotic Small-Molecule Regulation of DHFR-Based Destabilizing Domains In Vivo
por: Peng, Hui, et al.
Publicado: (2019)

Potential inhibitors of the interaction between ACE2 and SARS-CoV-2 (RBD), to develop a drug
por: Benítez-Cardoza, Claudia Guadalupe, et al.
Publicado: (2020)

Dynamic Assay for Profiling Anti-SARS-CoV-2 Antibodies and Their ACE2/Spike RBD Neutralization Capacity
por: Phelan, Thomas, et al.
Publicado: (2021)

COVID-19 patient serum less potently inhibits ACE2-RBD binding for various SARS-CoV-2 RBD mutants
por: Junker, Daniel, et al.
Publicado: (2022)

RBD Double Mutations of SARS-CoV-2 Strains Increase Transmissibility through Enhanced Interaction between RBD and ACE2 Receptor
por: Sinha, Siddharth, et al.
Publicado: (2021)

Characterization of Critical Determinants of ACE2–SARS CoV-2 RBD Interaction
por: Brown, Emily E. F., et al.
Publicado: (2021)

Structural insights into the SARS-CoV-2 Omicron RBD-ACE2 interaction
por: Lan, Jun, et al.
Publicado: (2022)

Cross-species binding spectrum of ACE2 to SARS-CoV-2 RBD
por: Liao, Xihao, et al.
Publicado: (2022)

Exploring the disruption of SARS-CoV-2 RBD binding to hACE2
por: Carter, Camryn, et al.
Publicado: (2023)

S494 O-glycosylation site on the SARS-CoV-2 RBD affects the virus affinity to ACE2 and its infectivity; a molecular dynamics study
por: Rahnama, Shadi, et al.
Publicado: (2021)

Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction
por: Xiong, Jiacheng, et al.
Publicado: (2021)

Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2
por: Han, Pengcheng, et al.
Publicado: (2022)

The impact of mutation sets in receptor-binding domain of SARS-CoV-2 variants on the stability of RBD–ACE2 complex
por: Peka, Mykyta, et al.
Publicado: (2023)

Bionics design of affinity peptide inhibitors for SARS-CoV-2 RBD to block SARS-CoV-2 RBD-ACE2 interactions
por: Liu, Xiaofeng, et al.
Publicado: (2023)

Small molecule-induced simultaneous destabilization of β-catenin and RAS is an effective molecular strategy to suppress stemness of colorectal cancer cells
por: Cho, Yong-Hee, et al.
Publicado: (2020)

Small Molecule Catalysts with Therapeutic Potential
por: Ney, Yannick, et al.
Publicado: (2018)

In-silico study for the identification of potential destabilizers between the spike protein of SARS-CoV-2 and human ACE-2
por: Medina-Barandica, Jeffry, et al.
Publicado: (2023)

Investigation of the binding and dynamic features of A.30 variant revealed higher binding of RBD for hACE2 and escapes the neutralizing antibody: A molecular simulation approach
por: Shafiq, Athar, et al.
Publicado: (2022)

Advanced Analysis of Biosensor Data for SARS-CoV-2 RBD and ACE2 Interactions
por: Forssén, Patrik, et al.
Publicado: (2020)

Corilagin prevents SARS-CoV-2 infection by targeting RBD-ACE2 binding
por: Yang, Li Jun, et al.
Publicado: (2021)

Investigation of potential inhibitor properties of violacein against HIV-1 RT and CoV-2 Spike RBD:ACE-2
por: Dogancı, Merve Ayse, et al.
Publicado: (2022)

Targeting ACE2-RBD interaction as a platform for COVID19 therapeutics: Development and drug repurposing screen of an AlphaLISA proximity assay
por: Hanson, Quinlin M., et al.
Publicado: (2020)

Targeting ACE2–RBD Interaction as a Platform for COVID-19 Therapeutics: Development and Drug-Repurposing Screen of an AlphaLISA Proximity Assay
por: Hanson, Quinlin M., et al.
Publicado: (2020)

Identification of potential SARS-CoV-2 entry inhibitors by targeting the interface region between the spike RBD and human ACE2
por: Gurung, Arun Bahadur, et al.
Publicado: (2021)

TRAIN (Transcription of Repeats Activates INterferon) in response to chromatin destabilization induced by small molecules in mammalian cells
por: Leonova, Katerina, et al.
Publicado: (2018)

Rapid screening of SARS-CoV-2 inhibitors via ratiometric fluorescence of RBD–ACE2 complexes in living cells by competitive binding
por: Miao, Lu, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_84kndmth01hmcct4026fflqgjh