**3.8 Pharmacological profiling**

To identify lead compounds, the binding energy, molecular bond interactions, pharmacological, and physiochemical properties were considered. This step helped to filter generalized hit compounds. The top 11 compounds were profiled *in silico* to characterize compounds with drug-likeness and good water solubility. Lipinski's rule of 5 was used as a metric to narrow down druggable compounds. The rule factors in the compound's molecular weight which should not exceed 500 g/mol, hydrogen bond donors must not be more than 5, log-p value must be less than or equal to 5 and hydrogen bond acceptors must not be more than 10. All the 11 top hits passed Lipinski's rule of 5 with a good bioavailability score of 0.55 (**Table A3**).
