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Background: The genus Morus is one of the rich sources of phytomedicine and considered a beneficial natural source for drugs with potential antimicrobial effect under the traditional system of medicine. Introduction: In the present study, three bioactive compounds isolated from the leaves of two species of genus Morus and their antibacterial effect against selective pathogens were assessed. Methods: The inhibitory effects of the three molecules isolated were assessed for their minimum inhibition concentration (MIC) and minimum bactericidal concentration (MBC) against selected pathogens. The in-silico studies provided the toxicity profile and the binding interactions with glucosamine- 6-phosphate synthase for all the isolates. Results: Among the three compounds tested, cathafuran-B showed a prominent bacteriostatic and bactericidal effect, which is supported by the results of in-silico analysis suggesting that cathafuran- B could be a potential glucosamine-6-phosphate synthase inhibitor. Conclusion: The biomolecule isolated from less explored Morus laevigata exhibiting higher antibacterial effect among the compounds tested warranted opening a new prospect in phytomedicinal research for exploring its pharmacological properties and lowering the utilization load present on highly explored Morus alba.