KrishnamoorthyBellieSundaram (2025) Catalyst-FreeSynthesisofQuinazolinone-FusedQuinoxaline DerivativesunderMildConditions:Characterization,InSilico PredictionandBiologicalEvaluation. Catalyst-FreeSynthesisofQuinazolinone-FusedQuinoxaline DerivativesunderMildConditions:Characterization,InSilico PredictionandBiologicalEvaluation. pp. 1-16.

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Abstract

Benzoyl indenoquinoxalines(BIQ)weresynthesizedbythecyclo
condensation of 3,4-diaminobenzophenonewith 1,2-diketone
derivatives in thepresenceof ethanol at roomtemperature.
Thereactionprotocol isverysimplethatavoids toxicsolvents
andcatalysts, resultinginamoreenvironmentallyfriendlysyn
theticmethod. Using thismethod, quinoxalinederivatives as
biologicallypotentmoleculesare formedwithexcellent yields
in shorter reaction times. Benzoyl indenoquinoxalines syn
thesizedwere characterizedby using FT-IR, NMR, andMass
spectral studies. The molecular structures of two selected
benzoyl indenoquinoxalineswerealsoconfirmedbythesingle
crystal X-raydiffractionmethod.Moreover,molecular docking
study of these compounds showedmore effective binding
withhumanepidermal growth factor receptor tyrosinekinase
(4HJO). Theoretical calculations at theDFT (BP86/Def2-TZVP)
level supportedtheexperimentalfindings.Thereactivityof the
quinoxalinecompoundswasexaminedusing theglobal reac
tivity descriptors and the frontiermolecules orbitals (FMOs).
Theantimicrobialactivitiesof thesynthesizedquinoxalinecom
poundsagainstbacterial species suchasStreptococcusaureus,
Escherichiacoli, andKlebsiellapneumoniae indifferent concen
trations revealnotableresponsesdependingonthestrainand
theconcentrationofthecompoundsexamined

Item Type: Article
Uncontrolled Keywords: Antibacterial activity • Benzoyl indenoquinoxaline derivatives • Density functional theory • Molecular docking • Single-crystal-XRD
Divisions: PSG College of Arts and Science > Department of Chemistry
Depositing User: Dr. B Sivakumar
Date Deposited: 15 Jun 2026 05:44
Last Modified: 15 Jun 2026 05:44
URI: https://ir.psgcas.ac.in/id/eprint/2927

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