Works matching IS 00093122 AND DT 2024 AND VI 60 AND IP 11/12

Results: 14

A theoretical approach to the possibility of applying the C19Al, C19B, C19N, C19Si, and C20 fullerene as well as the g-B3N4, g-C3N4, and g-Si3P4 nanosheets as carriers for drug delivery (and sensors for detection of the residue) of the Janus kinase inhibitor tofacitinib

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 663, doi. 10.1007/s10593-025-03390-y

By:

Siadati, Seyyed Amir;
Ebrahimzadeh, Mohammad Ali;
Babanezhad, Esmaeil;
Yazdian-Robati, Rezvan

Publication type:

Article

The possibility of applying some heteroatom-decorated g-C3N4 heterocyclic nanosheets for delivering 5-aminosalicylic acid anti-inflammatory agent.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 655, doi. 10.1007/s10593-025-03389-5

By:

Abbasi, Maryam;
Farnia, S. Morteza F.;
Tahghighi, Azar

Publication type:

Article

Quantum study of the [3+2] cycloaddition of nitrile oxide and carvone oxime: insights into toxicity, pharmacokinetics, and mechanism.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 646, doi. 10.1007/s10593-025-03388-6

By:

Ryachi, Kamal;
Mohammad-Salim, Haydar;
Al-Sadoon, Mohammad Khalid;
Zeroual, Abdellah;
de Julián-Ortiz, Jesús Vicente;
Idrissi, Mohammed El;
Tounsi, Abdessamad

Publication type:

Article

Structural and chemical reactivity insights of a benzimidazolidinone-based N-heterocycle: a multiapproach quantum-chemical study.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 611, doi. 10.1007/s10593-025-03384-w

By:

Mtiraou, Hasan;
Ghabi, Ameni;
Al-Ghulikah, Hanan;
Habib, Mohamed A.;
Hajji, Melek

Publication type:

Article

Stepwise, biradical nature of the [3+2] cycloaddition reaction between 4-nitrobenzonitrile N-oxide and simple ethene: a reexamination.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 670, doi. 10.1007/s10593-025-03391-x

By:

Jasiński, Radomir

Publication type:

Article

Selectivity and molecular mechanism of the Au(III)-catalyzed [3+2] cycloaddition reaction between (Z)-C,N-diphenylnitrone and nitroethene in the light of the molecular electron density theory computational study.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 639, doi. 10.1007/s10593-025-03387-7

By:

Wróblewska, Aneta;
Sadowski, Mikołaj;
Jasiński, Radomir

Publication type:

Article

A computational exploration of the antioxidant potential of conjugated quinazolinone Schiff bases.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 627, doi. 10.1007/s10593-025-03386-8

By:

Elbouhi, Mhamed;
Tabti, Kamal;
Ouabane, Mohamed;
Alaqarbeh, Marwa;
Elkamel, Khalid;
Lakhlifi, Tahar;
Sbai, Abdelouahid;
Bouachrine, Mohammed

Publication type:

Article

Elucidating chemoselectivity and unraveling the mechanism of 1,3-dipolar cycloaddition between diphenyl nitrilimine and (isoxazol-3-yl)methylbenzimidazole through molecular electron density theory.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 617, doi. 10.1007/s10593-025-03385-9

By:

Abdoul-Hakim, Mohamed;
Kenzy, Charles;
Subramaniam, Manjula;
Zeroual, Abdellah;
Syed, Asad;
Bahkali, Ali H.;
Verma, Meenakshi;
Wang, Shifa;
Garmes, Hocine

Publication type:

Article

Investigating the chemical reactivity and molecular docking of 2-diazo-3,3,3-trifluoro-1-nitropropane with phenyl methacrylate using computational methods.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 592, doi. 10.1007/s10593-025-03382-y

By:

Aitouna, Anas Ouled;
Syed, Asad;
Alfagham, Alanoud T.;
Mazoir, Noureddine;
de Julián-Ortiz, Jesús Vicente;
Elgorban, Abdallah M.;
idrissi, Mohammed El;
Wong, Ling Shing;
Zeroual, Adellah

Publication type:

Article

Synthesis of bis(het)aryl systems via domino reaction involving (2E,4E)-2,5-dinitrohexa-2,4-diene: DFT mechanistic considerations.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 600, doi. 10.1007/s10593-025-03383-x

By:

Kula, Karolina;
Jasiński, Radomir

Publication type:

Article

Molecular docking, exploring diverse selectivities and mechanistic insights in the cycloaddition reaction between 3-benzoylpyrrolo-[1,2-a]quinoxaline-1,2,4(5H)-triones and butyl vinyl ether.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 584, doi. 10.1007/s10593-025-03381-z

By:

Ameur, Soukaina;
Barhoumi, Ali;
Abdallaoui, Habib El Alaoui El;
Syed, Asad;
Belghiti, Mohammed Elalaoui;
Elgorban, Abdallah M.;
Wong, Ling Shing;
Wang, Shifa;
Idrissi, Mohammed El;
Zeroual, Abdellah;
Mazoir, Noureddine

Publication type:

Article

Quantum evaluation of novel epoxides: molecular docking, dynamics simulation, pharmacokinetics, stereoselectivity, and mechanistic insights into cis-himachalone and cis-himachalol epoxidation.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 575, doi. 10.1007/s10593-025-03380-0

By:

braim, Ilham Ait;
Baammi, Soukayna;
Aitouna, Anas Ouled;
Zeroual, Abdellah;
Chekroun, Ahmed;
Mohammad-Salim, Haydar;
Al-Sadoon, Mohammad Khalid;
Belghiti, M. E.;
de Julián-Ortiz, Jesús Vicente;
Benharref, Ahmed

Publication type:

Article

Comprehensive study on the stereoselective epoxidation of aromatic atlantone: mechanism, ADME analysis, and potential as COVID-19 drug.

Published in:

Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 568, doi. 10.1007/s10593-025-03379-7

By:

Raji, Houria;
Zeroual, Abdellah;
Chekroun, Ahmed;
Mohammad-Salim, Haydar;
Syed, Asad;
Elgorban, Abdallah M.;
Abid, Islem;
Verma, Meenakshi;
de Julián-Ortiz, Jesús Vicente;
Benharref, Ahmed

Publication type:

Article

Thematic issue "Synthesis and properties of heterocyclic compounds in the light of the quantum-chemical studies".

Published in:: Chemistry of Heterocyclic Compounds, 2024, v. 60, n. 11/12, p. 567, doi. 10.1007/s10593-025-03378-8
Publication type:: Article