New Drug Design to Suppress Nonalcoholic Steatohepatitis

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dc.contributor.authorAgar, S.
dc.contributor.authorAkkurt, B.
dc.contributor.authorUlukaya, E.
dc.date.accessioned2024-05-19T14:34:08Z
dc.date.available2024-05-19T14:34:08Z
dc.date.issued2024
dc.departmentİstinye Üniversitesien_US
dc.description.abstractA de novo designed biomolecule called INASHD was utilized through computer-aided drug design techniques to specifically target ?2-spectrin, effectively suppressing and preventing NASH disease. Advanced computational software tools concerning the technologies of molecular docking and molecular dynamics (MD), were employed to showcase the drug's remarkable ability to efficiently suppress and control the ?-helical topology of ?2-spectrin. This protein is a vital component within the disease pathway. We successfully devised an effective design suppressing ?2-spectrin, exhibiting an inhibition score surpassing any other molecule documented in scientific literature. With robust support from validated computational software, this bioorganic structure holds significant value and can be applied for a patent due to its innovative design. It shows promising potential for delivering positive outcomes in various stages, including in vitro, in vivo, ex vivo, and human phase studies. © 2024, Turkish Chemical Society. All rights reserved.en_US
dc.description.sponsorshipKalashnikov Izhevsk State Technical University, ISTUen_US
dc.description.sponsorshipThis study was funded by Molecular Cancer Research Association at ISTU under the oncology & medical biochemistry team of Prof. Dr. EU (M.D. Ph.D.).en_US
dc.identifier.doi10.18596/jotcsa.1395403
dc.identifier.endpage590en_US
dc.identifier.issn2149-0120
dc.identifier.issue2en_US
dc.identifier.scopus2-s2.0-85188545376en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage585en_US
dc.identifier.urihttps://doi.org/10.18596/jotcsa.1395403
dc.identifier.urihttps://hdl.handle.net/20.500.12713/4420
dc.identifier.volume11en_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherTurkish Chemical Societyen_US
dc.relation.ispartofJournal of the Turkish Chemical Society, Section A: Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.snmz20240519_kaen_US
dc.subjectİn Silico Drug Designen_US
dc.subjectMolecular Dockingen_US
dc.subjectMolecular Dynamicsen_US
dc.subjectNonalcoholic Steatohepatitisen_US
dc.subject?2-Spectrinen_US
dc.titleNew Drug Design to Suppress Nonalcoholic Steatohepatitisen_US
dc.typeArticleen_US

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