Synthesis, Characterization And Biological Evalution Of 2-Aminoacetophenone Derived Benzothiazole Conjugated Chalcones Aspotential Antitubercular And Cytotoxic Agents

Abstract

Because of its diverse spectrum of activities, research on molecules linked to benzothiazoles has significantly grown in recent years. Chalcones are 1,3-diphenylprop-2-en-1-one's structural derivatives. They have enormous compass of antimicrobial, anti-instigative, anti-neoplastic, antiviral, anti-diabetic, anti-malarial, and antioxidant properties, among many more derivatives that are being screened for. The compounds that are produced when these benzothiazoles are joined with chalcones have enhanced activity. A number of benzothiazole-linked chalcones have been created, as discussed here. These novel hybrid pharmacophore moieties contain anti-tubercular and anti-cancer compounds, according to well-known literature. In order to find the "in silico hit" against verified anticancer and antitubercular drug targets for additional exploitation utilizing molecular docking simulations, we conducted synthesis, spectrum analysis, and biological evaluation. FT-IR, 13C NMR, 1H NMR, and deconvoluted M+1 spectra were used to characterize the structures of the produced compounds. Using methotrexate and pyrazinamide as reference medications, the newly synthesized compounds were examined for cytotoxic and anti-tubercular properties in the second section of the study. The next part is the study regarding preliminary investigation of the possible molecular target or targets for the benzothiazole-linked chalcones (CH-1-CH-14) using the ligand-protein inverse docking¹¹ (LPID) simulation technique.The in vitro results and the laboratory results found from the docking simulation studies related to anticancer and antitubercular activities are less consistent. The poor correlation between in vitro and laboratory studies may be caused by the influence offuture implications of this research work would include the necessity to assess the hits utilizing ligand binding assay tests, followed by animal studies, employing biopharmaceutical descriptors like as logP, logD, and logS.