Evaluation of In-Vitro and In-Silico Study of Anti-Tubercular Activity in Senna sophera Seeds

Tuberculosis (TB) is a serious health issue worldwide. TB continues to be the most common infectious agent-related cause of mortality worldwide. A yield of 5.25%w/w was obtained from the methanolic extract of Senna sophera seeds. Alkaloids, carbohydrates, saponins, phenolic substances, flavonoids, terpenoids, glycosides, and steroids were included in the initial phytochemical analysis of the Senna sophera seed extract in methanol. Compared to the relative concentration of Rifampicin, the Broth Microdilution Method, which was used to examine the anti-tubercular activity of Senna sophera seeds against H37Rv, revealed a moderate inhibition of growth with an MIC of 500 µg/ml. Based on ADME and toxicity prediction, GC-MS analysis of Senna sophera seed extract showed that this plant is a rich source of phytoconstituents with a high binding affinity in docking experiments and compounds with drug-like features. This study used AutoDock Vina molecular docking simulations to evaluate the binding interactions between various ligands and a target protein model. Docking scores and 2D interaction images were made accessible for visualization. The data showed that 5UHB-DRG2 had the best docking score of -6.7, indicating a stronger binding affinity due to interactions with crucial residues such as GLN C:438 and LEU C:436. However, additional ligands, including 5UHB-DRG1 and 5UHB-DRG3, had scores of -4.7 and -4.8, respectively, while 5UHB-DRG4 and 5UHB-DRG5 also received -4.1. Furthermore, as indicated by its score of -4.1, the 5UHB-RIF complex exhibited competitive binding properties with lower-scoring DRG complexes.