Abstract

SYNTHESIS, CHARACTERIZATION AND MOLECULAR DOCKING STUDY OF NEW N-4(FLUROPHENYL) -2-(ARYL METHYLIDINE) HYDRAZINYL -1,3-BENZOTHIOZOLE-6-AMINO DERIVATIVES

*Niharika H., Savitha Umarani, K. Kavya, Chetan Kumar K, Hyderali P, Jayakrishna

ABSTRACT

Current synthesis consists of synthesis of series of new N-4(fluorophenyl)-2(aryl methylidine hydrazinyl)-1, 3-benzothiazole-6-amino derivatives (Va-Vc) were prepared by condensation of 2(-6-chloro-1, 3-benzothiazole-2-yl) substituted benzaldehyde hydrazones (IVa-IVc) and 4-fluroaniline in the presence of DMF. Characterization of the synthesised structure was carried out on the bases of spectral analysis (IR). Later the synthesised compounds (IVa-Vc) were docked against, β-site amyloid precursor protein cleaving enzyme-1 (BACE1) is mainly expressed on brain and used as a target drug in Alzheimer’s disease, studies proved that it can also be used as a drug for antimicrobial activity. Thus, BACE1 inhibitors can play an important role in the treatment of microbial diseases and the standard ligand was CID_1159215 on molecular docking it was revealed that the binding energy of compounds Vb, Va and Vc were respectively the nearest value of ligand CID_1159215.

Keywords: Benzothiazole, molecular docking.