Publications in collaboration with researchers from King Saud University (6)

2025

  1. Synergistic synthesis and computational analysis of novel indazole-2-Pyrone hybrids: Toxicity, Hirshfeld surface insights, and antiviral potential against HIV-1 and Coronaviruses

    Journal of Molecular Structure, Vol. 1321

2024

  1. Elucidating the mechanism and selectivity of [3 + 2] cycloaddition: a DFT and molecular docking investigation of the reaction of 6-butoxy-5,6-dihydro-4H-1,2-oxazine 2-oxide with dimethyl maleate

    Structural Chemistry

  2. Exploring the synthesis and application of a pyrazole derivative in corrosion protection: Theoretical modeling and experimental investigations

    Journal of Molecular Structure, Vol. 1312

  3. Molecular docking, expounding the chemo-, regio-selectivity, and the mechanism of [3 + 2] cycloloaddition reaction between nitrile-imine and (thio)-chalcone

    Monatshefte fur Chemie, Vol. 155, Núm. 7, pp. 697-707

  4. Synthesis, X-ray analysis, and antiviral evaluation of allohimachalol: Insights into stereoselectivity in epoxidation

    Journal of Molecular Structure, Vol. 1305

2023

  1. Investigation of the molecular mechanism and diastereoselectivity in the [3 + 2] cycloaddition reaction between acetonitrile oxide and Cis-3,4-Dichlorocyclobutene: Insights from MEDT and docking study

    Computational and Theoretical Chemistry, Vol. 1228