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dc.contributor.authorKarthikeyan, Subramanien
dc.contributor.authorThirunarayanan, Ayyavuen
dc.contributor.authorShano, Leon Berneten
dc.contributor.authorHemamalini, Arasappanen
dc.contributor.authorSundaramoorthy, Anandhen
dc.contributor.authorMangaiyarkarasi, Rajendiranen
dc.contributor.authorAbu, Norhidayahen
dc.contributor.authorGanesan, Singaraveluen
dc.contributor.authorChinnathambi, Shanmugavelen
dc.contributor.authorPandian, Ganesh N.en
dc.date.accessioned2024-03-14T04:22:32Z-
dc.date.available2024-03-14T04:22:32Z-
dc.date.issued2024-01-17-
dc.identifier.urihttp://hdl.handle.net/2433/287357-
dc.description.abstractChalcone derivatives are an extremely valuable class of compounds, primarily due to the keto-ethylenic group, CO–CH[double bond, length as m-dash]CH–, they contain. Moreover, the presence of a reactive α, β-unsaturated carbonyl group confers upon them a broad range of pharmacological properties. Recent developments in heterocyclic chemistry have led to the synthesis of chalcone derivatives, which have been biologically investigated for their activity against certain diseases. In this study, we investigated the binding of new chalcone derivatives with COX-2 (cyclooxygenase-2) and HSA (Human Serum Albumin) using spectroscopic and molecular modeling studies. COX-2 is commonly found in cancer and plays a role in the production of prostaglandin E (2), which can help tumors grow by binding to receptors. HSA is the most abundant protein in blood plasma, and it transports various compounds, including hormones and fatty acids. The conformation of chalcone derivatives in the HSA complex system was established through fluorescence steady and excited state spectroscopy techniques and FTIR analyses. To gain a more comprehensive understanding, molecular docking, and dynamics were conducted on the target protein (COX-2) and transport protein (HSA). In addition, we conducted density-functional theory (DFT) and single-point DFT to understand intermolecular interaction in protein active sites.en
dc.language.isoeng-
dc.publisherRoyal Society of Chemistry (RSC)en
dc.rights© 2024 The Author(s). Published by the Royal Society of Chemistryen
dc.rightsThis article is licensed under a Creative Commons Attribution 3.0 Unported Licence.en
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/-
dc.titleChalcone derivatives' interaction with human serum albumin and cyclooxygenase-2en
dc.typejournal article-
dc.type.niitypeJournal Article-
dc.identifier.jtitleRSC Advancesen
dc.identifier.volume14-
dc.identifier.issue4-
dc.identifier.spage2835-
dc.identifier.epage2849-
dc.relation.doi10.1039/d3ra07438b-
dc.textversionpublisher-
dc.identifier.pmid38234869-
dcterms.accessRightsopen access-
datacite.awardNumber22K15249-
datacite.awardNumber22K19291-
datacite.awardNumber.urihttps://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22K15249/-
datacite.awardNumber.urihttps://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22K19291/-
dc.identifier.eissn2046-2069-
jpcoar.funderName日本学術振興会ja
jpcoar.funderName日本学術振興会ja
jpcoar.awardTitleCreation and biological evaluation of nanoparticle-based artificial transcription factoren
jpcoar.awardTitleリボソームにおけるRNAタンパク質相互作用をマッピングするための統合的アプローチja
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