Cargando…

Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19

Coronavirus disease (COVID)-19 is the leading global health threat to date caused by a severe acute respiratory syndrome coronavirus (SARS-CoV-2). Recent clinical trials reported that the use of Bruton’s tyrosine kinase (BTK) inhibitors to treat COVID-19 patients could reduce dyspnea and hypoxia, th...

Descripción completa

Detalles Bibliográficos
Autores principales:	Kaliamurthi, Satyavani, Selvaraj, Gurudeeban, Selvaraj, Chandrabose, Singh, Sanjeev Kumar, Wei, Dong-Qing, Peslherbe, Gilles H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8267665/ https://www.ncbi.nlm.nih.gov/pubmed/34209188 http://dx.doi.org/10.3390/ijms22137071

Ejemplares similares

Identifying potential drug targets and candidate drugs for COVID-19: biological networks and structural modeling approaches
por: Selvaraj, Gurudeeban, et al.
Publicado: (2021)

Are the Allergic Reactions of COVID-19 Vaccines Caused by mRNA Constructs or Nanocarriers? Immunological Insights
por: Selvaraj, Gurudeeban, et al.
Publicado: (2021)

Designing of CD8(+) and CD8(+)-overlapped CD4(+) epitope vaccine by targeting late and early proteins of human papillomavirus
por: Kaliamurthi, Satyavani, et al.
Publicado: (2018)

Circulating miR-1246 Targeting UBE2C, TNNI3, TRAIP, UCHL1 Genes and Key Pathways as a Potential Biomarker for Lung Adenocarcinoma: Integrated Biological Network Analysis
por: Huang, Siyuan, et al.
Publicado: (2020)

Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence—I
por: Wei, Dongqing, et al.
Publicado: (2022)

A theoretical study of chemical bonding and topological and electrostatic properties of the anti-leprosy drug dapsone
por: Rajendran, Niranjana Devi, et al.
Publicado: (2020)

Exploring the Papillomaviral Proteome to Identify Potential Candidates for a Chimeric Vaccine against Cervix Papilloma Using Immunomics and Computational Structural Vaccinology
por: Kaliamurthi, Satyavani, et al.
Publicado: (2019)

Integrated PPI- and WGCNA-Retrieval of Hub Gene Signatures Shared Between Barrett's Esophagus and Esophageal Adenocarcinoma
por: Nangraj, Asma Sindhoo, et al.
Publicado: (2020)

Interrogation of Bacillus anthracis SrtA active site loop forming open/close lid conformations through extensive MD simulations for understanding binding selectivity of SrtA inhibitors
por: Selvaraj, Chandrabose, et al.
Publicado: (2021)

Toxicity Study of Silver Nanoparticles Synthesized from Suaeda monoica on Hep-2 Cell Line
por: Satyavani, Kaliyamurthi, et al.
Publicado: (2012)

Prospects of Novel and Repurposed Immunomodulatory Drugs against Acute Respiratory Distress Syndrome (ARDS) Associated with COVID-19 Disease
por: Nayak, Smruti Sudha, et al.
Publicado: (2023)

Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease
por: Selvaraj, Chandrabose, et al.
Publicado: (2021)

Docking-based virtual screening of known drugs against murE of Mycobacterium tuberculosis towards repurposing for TB
por: Brindha, Sridharan, et al.
Publicado: (2016)

Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries
por: Selvaraj, Chandrabose, et al.
Publicado: (2021)

Advantages of Structure-Based Drug Design Approaches in Neurological Disorders
por: Aarthy, Murali, et al.
Publicado: (2017)

Simultaneous Determination of Orelabrutinib, Zanubrutinib, Ibrutinib and Its Active Metabolite in Human Plasma Using LC-MS/MS
por: Sun, Lu-Ning, et al.
Publicado: (2023)

Drug repurposing: Ibrutinib exhibits immunosuppressive potential in organ transplantation
por: Zhang, Qing, et al.
Publicado: (2018)

Repurposing of Ibrutinib and Quizartinib as potent inhibitors of necroptosis
por: Huang, Fangmin, et al.
Publicado: (2023)

BTK gatekeeper residue variation combined with cysteine 481 substitution causes super-resistance to irreversible inhibitors acalabrutinib, ibrutinib and zanubrutinib
por: Estupiñán, H. Yesid, et al.
Publicado: (2021)

Antidiabetic effect of a black mangrove species Aegiceras corniculatum in alloxan-induced diabetic rats
por: Gurudeeban, S., et al.
Publicado: (2012)

Biomedical potential of silver nanoparticles synthesized from calli cells of Citrullus colocynthis (L.) Schrad
por: K, Satyavani, et al.
Publicado: (2011)

P633: UPDATED SAFETY AND EFFICACY RESULTS OF ZANUBRUTINIB IN PATIENTS WITH B-CELL MALIGNANCIES WHO ARE INTOLERANT OF IBRUTINIB AND/OR ACALABRUTINIB
por: Shadman, Mazyar, et al.
Publicado: (2023)

Editorial: Novel Therapeutic Interventions Against Infectious Diseases: COVID-19
por: Sakkiah, Sugunadevi, et al.
Publicado: (2022)

Ibrutinib repurposing: from B-cell malignancies to solid tumors
por: Massó-Vallés, Daniel, et al.
Publicado: (2016)

Virtual screening on the web for drug repurposing: a primer
por: Chen, Yu Wai, et al.
Publicado: (2021)

Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease
por: Kandeel, Mahmoud, et al.
Publicado: (2020)

Editorial: Computational systems immunovirology
por: Zarei Ghobadi, Mohadeseh, et al.
Publicado: (2023)

DrugRep: an automatic virtual screening server for drug repurposing
por: Gan, Jian-hong, et al.
Publicado: (2022)

A database for the predicted pharmacophoric features of medicinal compounds
por: Daisy, Pitchai, et al.
Publicado: (2011)

Zanubrutinib Versus Ibrutinib in Relapsed/Refractory Chronic Lymphocytic Leukemia and Small Lymphocytic Lymphoma: Interim Analysis of a Randomized Phase III Trial
por: Hillmen, Peter, et al.
Publicado: (2023)

Repurposing ibrutinib: therapeutic effects and implications for translational approaches in Alzheimer’s disease
por: Lee, Hyun-ju, et al.
Publicado: (2023)

Repurposing existing drugs for monkeypox: applications of virtual screening methods
por: Li, Vladimir, et al.
Publicado: (2023)

Zanubrutinib: past, present, and future
por: Tam, Constantine S., et al.
Publicado: (2023)

Selectins—The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules—A Review
por: Tvaroška, Igor, et al.
Publicado: (2020)

Effect of a polyherbal formulation cream on diabetic neuropathic pain among patients with type 2 diabetes – A pilot study
por: Viswanathan, Vijay, et al.
Publicado: (2016)

Homology modeling, active site prediction, and targeting the anti hypertension activity through molecular docking on endothelin – B receptor domain
por: Rayalu, Daddam Jayasimha, et al.
Publicado: (2012)

Modeling of human CCR5 as Target for HIV-I and Virtual Screening with Marine Therapeutic compounds
por: Manikandan, Selvaraj, et al.
Publicado: (2008)

P1093: MATCHING-ADJUSTED INDIRECT COMPARISON (MAIC) OF ZANUBRUTINIB (ZANU) VERSUS IBRUTINIB (IBRU) IN RELAPSED/REFRACTORY MARGINAL ZONE LYMPHOMA (R/R MZL)
por: Thieblemont, Catherine, et al.
Publicado: (2023)

Simultaneous development of zanubrutinib in the USA and China
por: Li, Guanqiao, et al.
Publicado: (2020)

Correction: Zanubrutinib: past, present, and future
por: Tam, Constantine S., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_tpc1cpl3pg8oqgeuvofvpb1uqe