Cargando…

Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2

The scientific community is continuously working to discover drug candidates against potential targets of SARS-CoV-2, but effective treatment has not been discovered yet. The virus enters the host cell through molecular interaction with its enzymatic receptors i.e., ACE2 and TMPRSS2, which, if, syne...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yadav, Rohitash, Hasan, Shazia, Mahato, Sumit, Celik, Ismail, Mary, Y.S., Kumar, Ashish, Dhamija, Puneet, Sharma, Ambika, Choudhary, Neha, Chaudhary, Pankaj Kumar, Kushwah, Ankita Singh, Chaudhary, Jitendra Kumar
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8267125/ https://www.ncbi.nlm.nih.gov/pubmed/34305216 http://dx.doi.org/10.1016/j.molliq.2021.116942

Ejemplares similares

Role of Structural and Non-Structural Proteins and Therapeutic Targets of SARS-CoV-2 for COVID-19
por: Yadav, Rohitash, et al.
Publicado: (2021)

Host Cell and SARS-CoV-2-Associated Molecular Structures and Factors as Potential Therapeutic Targets
por: Chaudhary, Jitendra Kumar, et al.
Publicado: (2021)

Insights into COVID-19 Vaccine Development Based on Immunogenic Structural Proteins of SARS-CoV-2, Host Immune Responses, and Herd Immunity
por: Chaudhary, Jitendra Kumar, et al.
Publicado: (2021)

Contributions of human ACE2 and TMPRSS2 in determining host–pathogen interaction of COVID-19
por: SENAPATI, SABYASACHI, et al.
Publicado: (2021)

Sex, androgens and regulation of pulmonary AR, TMPRSS2 and ACE2
por: Baratchian, Mehdi, et al.
Publicado: (2020)

Soluble ACE2 and TMPRSS2 Levels in the Serum of Asthmatic Patients
por: Lee, Ji-Hyang, et al.
Publicado: (2022)

ACE inhibitors on ACE1, ACE2, and TMPRSS2 expression and spheroid attachment on human endometrial Ishikawa cells
por: Fernando, Sudini R., et al.
Publicado: (2022)

Bromelain inhibits SARS‐CoV‐2 infection via targeting ACE‐2, TMPRSS2, and spike protein
por: Sagar, Satish, et al.
Publicado: (2021)

ACE2 and TMPRSS2 Expression in Hepatocytes of Chronic HBV Infection Patients
por: Hu, Xiao-Xiao, et al.
Publicado: (2021)

Gastrointestinal cancers, ACE-2/TMPRSS2 expression and susceptibility to COVID-19
por: Shafiee, Sepehr, et al.
Publicado: (2021)

ACE2 and TMPRSS2 Immunolocalization and COVID-19-Related Thyroid Disorder
por: Park, Gi-Cheol, et al.
Publicado: (2022)

GB-2 inhibits ACE2 and TMPRSS2 expression: In vivo and in vitro studies
por: Wu, Ching-Yuan, et al.
Publicado: (2020)

Type 2 inflammation modulates ACE2 and TMPRSS2 in airway epithelial cells
por: Kimura, Hiroki, et al.
Publicado: (2020)

PFOA induces alteration in DNA methylation regulators and SARS-CoV-2 targets Ace2 and Tmprss2 in mouse lung tissues
por: Ahmad, Saeed, et al.
Publicado: (2021)

Ace2 and Tmprss2 Expressions Are Regulated by Dhx32 and Influence the Gastrointestinal Symptoms Caused by SARS-CoV-2
por: Xu, Fuyi, et al.
Publicado: (2021)

ACE2, TMPRSS2 distribution and extrapulmonary organ injury in patients with COVID-19
por: Dong, Mengzhen, et al.
Publicado: (2020)

ACE2 & TMPRSS2 Expressions in Head & Neck Tissues: A Systematic Review
por: Lechien, Jerome R., et al.
Publicado: (2020)

COVID-19 and the male susceptibility: the role of ACE2, TMPRSS2 and the androgen receptor
por: Mjaess, G., et al.
Publicado: (2020)

Malignancy going viral: ACE2 and TMPRSS2 expression in conjunctival neoplastic diseases
por: Grajewski, Rafael S., et al.
Publicado: (2021)

Sputum ACE2, TMPRSS2 and FURIN gene expression in severe neutrophilic asthma
por: Kermani, Nazanin Zounemat, et al.
Publicado: (2021)

Exposure to particulate matter upregulates ACE2 and TMPRSS2 expression in the murine lung()
por: Sagawa, Tomoya, et al.
Publicado: (2021)

Age and gender differences in ACE2 and TMPRSS2 expressions in oral epithelial cells
por: Peng, Jinfeng, et al.
Publicado: (2021)

ACE2 and TMPRSS2 in human saliva can adsorb to the oral mucosal epithelium
por: Zhu, Fucun, et al.
Publicado: (2021)

ACE inhibition and cardiometabolic risk factors, lung ACE2 and TMPRSS2 gene expression, and plasma ACE2 levels: a Mendelian randomization study
por: Gill, Dipender, et al.
Publicado: (2020)

ACE2 and TMPRSS2 Potential Involvement in Genetic Susceptibility to SARS-COV-2 in Cancer Patients
por: Ravaioli, Sara, et al.
Publicado: (2020)

Expression of ACE2, the SARS-CoV-2 Receptor, and TMPRSS2 in Prostate Epithelial Cells
por: Song, Hanbing, et al.
Publicado: (2020)

Expression of ACE2, the SARS-CoV-2 receptor, and TMPRSS2 in prostate epithelial cells
por: Song, Hanbing, et al.
Publicado: (2020)

Targeting transcriptional regulation of SARS-CoV-2 entry factors ACE2 and TMPRSS2
por: Qiao, Yuanyuan, et al.
Publicado: (2021)

TMPRSS2: An Equally Important Protease as ACE2 in the Pathogenicity of SARS-CoV-2 Infection
por: Parmar, Malvinder S.
Publicado: (2021)

Schizophyllum commune Reduces Expression of the SARS-CoV-2 Receptors ACE2 and TMPRSS2
por: Sun, Te-Kai, et al.
Publicado: (2022)

The Pursuit of COVID-19 Biomarkers: Putting the Spotlight on ACE2 and TMPRSS2 Regulatory Sequences
por: Barash, Ayelet, et al.
Publicado: (2020)

New insights into genetic susceptibility of COVID-19: an ACE2 and TMPRSS2 polymorphism analysis
por: Hou, Yuan, et al.
Publicado: (2020)

Correction to: Sputum ACE2, TMPRSS2 and FURIN gene expression in severe neutrophilic asthma
por: Kermani, Nazanin Zounemat, et al.
Publicado: (2021)

Association between ACE2 and TMPRSS2 nasopharyngeal expression and COVID-19 respiratory distress
por: Rossi, Átila Duque, et al.
Publicado: (2021)

ACE2 and TMPRSS2 SNPs as Determinants of Susceptibility to, and Severity of, a COVID-19 Infection
por: Abdelsattar, S., et al.
Publicado: (2022)

COVID-19 susceptibility: potential of ACE2 polymorphisms
por: Chaudhary, Mayank
Publicado: (2020)

Synthesis, spectral analysis, molecular docking and DFT studies of 3-(2, 6-dichlorophenyl)-acrylamide and its dimer through QTAIM approach
por: Shukla, Akhilesh Kumar, et al.
Publicado: (2020)

Expression Pattern of the SARS-CoV-2 Entry Genes ACE2 and TMPRSS2 in the Respiratory Tract
por: Liu, Yichuan, et al.
Publicado: (2020)

SARS-CoV-2 Targets by the pscRNA Profiling of ACE2, TMPRSS2 and Furin Proteases
por: Zhou, Lulin, et al.
Publicado: (2020)

Expression of SARS-CoV-2 Entry Molecules ACE2 and TMPRSS2 in the Gut of Patients With IBD
por: Burgueño, Juan F, et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_ijga7mr3kei2rqp640vuu9q1ji