CRYSTAL STRUCTURE OF ISATIN ANCHOREDAZOMETHINE LIGAND: DFT AND MOLECULARDOCKINGSTUDIES ON 5HFZ PROTEIN

Azomethine compounds are synthesised using a primary amine with aryl or aliphatic aldehydes or ketones. Azomethine compounds, commonly known as Schiff bases, were first synthesised in 1864 byHugoSchiff. They have wide applications in pharmaceutical, agricultural and industrial fields. In1841, Erdmann and Laurent isolated Isatin from indigo. Since then many research has concentratedandproduced more compounds from isatin due to their high potential biological properties.1-5 Rajaramet al. (2010) reported azomethine compound from p-phenylenediamine, and Isatin showed analgesic activity.6 Savitha et al. (2023) reported 20 isatin-derived azomethine compounds that were explored the antioxidant properties, which were confirmed by in vitro and insilico studies.7 Meshram et al. (2025) examinedtwosets of azomethine compounds that were reported to have antitumor activities.8 The researchers havereported that various isatin-based Schiff bases have been described in many pharmaceutical applicationsand drug discovery. The very long history and frequently reported high potential properties of isatinmakeinterested to create a simple system of compounds from isatin. In this work, we formulated a novel azomethine compound from Isatin and 3-Isopropylaniline and examined the structural formation throughspectral analysis and biological activity by insilico methods.