Benzimidazole derivatives as a new scaffold of anticancer agents: Synthesis, optical properties, crystal structure and DFT calculations

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dc.authorscopusid57211919417
dc.authorscopusid57217392445
dc.authorscopusid57190851648
dc.authorscopusid6508261189
dc.authorscopusid57193320468
dc.authorscopusid8398877200
dc.authorscopusid56433183400
dc.contributor.authorZouaghi M.O.
dc.contributor.authorBensalah D.
dc.contributor.authorHassen S.
dc.contributor.authorArfaoui Y.
dc.contributor.authorMansour L.
dc.contributor.authorÖzdemir N.
dc.contributor.authorBülbül H.
dc.date.accessioned2024-08-04T20:03:41Z
dc.date.available2024-08-04T20:03:41Z
dc.date.issued2024
dc.departmentİnönü Üniversitesien_US
dc.description.abstractThe absolute necessity to fight some class of tumour is perceived as serious health concerns, and the discovery and development of effective anticancer agents are urgently needed. So, the novel benzimidazole derivatives (2a-b) were designed, synthesized, with their structures rigorously characterized using single X-ray crystallography, FT-IR, UV, and NMR spectroscopy, alongside elemental analysis. The geometric structures were optimized using density functional theory (DFT) calculations performed at the ?B97X-D/cc-pVDZ level, yielding good agreement with experimental XRD data. The studied salt complexes exhibited the ability to absorb UV light at 275 nm. Furthermore, anticancer activity of the compounds was screened against (MDA-MB-231, MCF-7, HT-29 and healthy cell line (HF)) and revealed the remarkable efficacy of select newly synthesized Benzimidazole derivatives (2a-b). Compound 2a showed relative significant higher cytotoxicity (165.02) in MDA-MB-231 cancer cell line. This underscores their promising potential in therapeutic applications, affirming their role as valuable contenders in the pursuit of novel anticancer agents. © 2024 The Authorsen_US
dc.description.sponsorshipKing Saud University, KSUen_US
dc.description.sponsorshipThe authors extended their appreciation to the Researchers Supporting Project number (RSP2024R75), King Saud University, Riyadh, Saudi Arabia.en_US
dc.identifier.doi10.1016/j.heliyon.2024.e32905
dc.identifier.issn2405-8440
dc.identifier.issue12en_US
dc.identifier.scopus2-s2.0-85196284813en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1016/j.heliyon.2024.e32905
dc.identifier.urihttps://hdl.handle.net/11616/92017
dc.identifier.volume10en_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Ltden_US
dc.relation.ispartofHeliyonen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectA8/nticancer evaluationen_US
dc.subjectBenzimidazole derivativesen_US
dc.subjectCytotoxicity assessmenten_US
dc.subjectDensity functional theory (DFT)en_US
dc.subjectUV absorptionen_US
dc.titleBenzimidazole derivatives as a new scaffold of anticancer agents: Synthesis, optical properties, crystal structure and DFT calculationsen_US
dc.typeArticleen_US

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