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dc.contributor.authorAttia, Mohamed S.
dc.contributor.authorHassanballah, Mohammed Y.
dc.contributor.authorNegida, Ahmed
dc.contributor.authorSebaiy, Mahmoud M.
dc.contributor.authorZiedan, Noha
dc.date.accessioned2023-02-10T08:48:53Z
dc.date.available2023-02-10T08:48:53Z
dc.date.issued2021-08-08
dc.identifierhttps://chesterrep.openrepository.com/bitstream/handle/10034/627543/Version%20of%20record%20tyrosine%20kinase.pdf?sequence=1
dc.identifier.citationAttia, M., Hassaballah, M., Negida, A., Sebaiy, M., & Ziedan, N. (2022). BCR-ABL Tyrosine Kinase Inhibitors as Candidates for the Treatment of COVID-19: Molecular Docking, Pharmacophore Modeling, ADMET Studies. Biointerface Research in Applied Chemistry, 12(3), 3357-3371. https://doi.org/10.33263/BRIAC123.33573371en_US
dc.identifier.issn2069-5837
dc.identifier.doi10.33263/BRIAC123.33573371
dc.identifier.urihttp://hdl.handle.net/10034/627543
dc.description.abstractThe novel coronavirus pandemic (COVID-19) caused by SARS-CoV-2 has affected more than 53 million individuals worldwide. Currently, there is a dire need to develop or find potential drugs that can treat SARS-CoV-2 infection. One of the standard methods to accelerate drug discovery and development in pandemics is to screen currently available medications against the critical therapeutic targets to find potential therapeutic agents. The literature has pointed out to the 3CLpro and RdRp proteins as the most important proteins involved in viral replications. In the present study, we used an in-silico modeling approach to examine the affinity of six tyrosine kinases inhibitors (TKIs), Imatinib, Ponatinib, Nilotinib, Gefitinib, Erlotinib, and Dasatinibagainst the 3CLpro and RdRp by calculating the energy balance. The six tested TKIs had energy balance values of more than -7 Kcal/mol for both viral target proteins. Nilotinib and Ponatinib showed the highest affinity for 3CLpro (-8.32, -8.16, respectively) while Dasatinib, Ponatinib, and Imatinib presented the strongest binding toRdRp(-14.50, -10.57, -9.46, respectively). Based on these findings, we recommend future evaluations of TKIs for SARs-CoV-2 infection in-vitro and further testing in clinical trials.en_US
dc.publisherAMG Transcend Associationen_US
dc.relation.urlhttps://biointerfaceresearch.com/wp-content/uploads/2021/08/20695837123.33573371.pdfen_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en_US
dc.subjectCOVID-19en_US
dc.subjectRdRpen_US
dc.subjectTyrosine kinaseen_US
dc.subjectMolecular dockingen_US
dc.titleBCR-ABL Tyrosine Kinase Inhibitors as Candidates for the Treatment of COVID-19: Molecular Docking, Pharmacophore Modeling, ADMET Studiesen_US
dc.typeArticleen_US
dc.contributor.departmentUniversity of Chester, Zagazig Universityen_US
dc.identifier.journalBiointerface Research in Applied Chemistryen_US
or.grant.openaccessYesen_US
rioxxterms.funderunfundeden_US
rioxxterms.identifier.projectunfundeden_US
rioxxterms.versionVoRen_US
rioxxterms.versionofrecord10.33263/BRIAC 123.33573371en_US
dcterms.dateAccepted2021-05-10
rioxxterms.publicationdate2021-08-08
dc.date.deposited2023-02-09en_US


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