As part of this study, we investigated the anti-tuberculosis properties of barks of Cassia auriculata from different solvent extracts and identified phytochemicals by gas chromatography-mass spectrometry (GC-MS).A high level of terpenoids, alkaloids, phenolic compounds, and steroids was found in petroleum benzene and ethanol extracts. We performed molecular docking studies with 5HKF, the selected inhibitor protein of Mycobacterium tuberculosis.It was determined by computer-aided drug design using virtual screening that previously known anti-tuberculosis drugs inhibit the Mycobacterium tuberculosis (H37Rv) Protein (5HKF). Using Molinspiration cheminformatics, repurposed drugs were evaluated for their drug-likeness in comparison to original drugs, while ADMET and pkCSM webservers were used to analyze their absorption, distribution, metabolism, excretion, and toxicity.According to this study, N-methyl-N-nitrosoadenosine (-7.2 kcal/mol), simiarenol (-6.9 Kcal/mol), 6,7,8,14-Tetradehydro-3-methoxy-17-methylmorphinan (– 6.5 kcal/mol),  and 4-Acetyl-5-(2-fluorophenyl)-3-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one (–6.5 kcal/mol) were significantly inhibiting against Mycobacterium tuberculosis with superior pharmacokinetics, drug-likeness, oral bioavailability, bioactivity properties, and ADMET properties in comparison to isoniazid (-4.3 kcal/mol). These observations may lead to further research on the cure and management of tuberculosis.

Key words:  Cassia auriculata bark, GCMS Analysis, Molecular docking study, ADMET, anti-tuberculosis activity