Theoretical anti-tuberculosis activity and molecular docking investigation of N-silylated heterocyclic compounds with benzyl chloride catalyzed by ammonium sulfate-doped red algae

Abstract

In this charge we designated a Hilbert-Johnson process by coupling of heterocyclic N-silylated with benzyl chloride at 100°C using the calcined red algae (CRA) doped with ammonium sulfate (AS), AS@CRA as a heterogeneous catalyst. The resulting examination systems, which included atomic absorption, BET methodology and X-ray diffraction (XRD), scanning electron microscopy (SEM/EDX), and Fourier transform infrared spectroscopy (FT-IR), were employed to describe these catalysts. The effect of catalyst and alkylated agent were extensively studied. This catalyst can also be recycled several times in this condensation, and lastly, we suggested a probable answer mechanism for this process. Moreover, our molecular docking investigation revealed the anti-tuberculosis potential of the synthesized compounds. Notably, the drug isoniazid exhibited higher binding energies compared to the products 2a, 2b, and 2c. Additionally, the ADME study suggests that highly efficacious synthetic compounds may possess anti-tuberculosis properties.