Synthesis, Biological Evaluation, in Silico Docking and Virtual ADME Studies of Novel Isatin Analogs as Promising Antimicrobial Agents

Background: A series of sixteen novel isatin analogs (3a-3p) have been synthesized and evaluated for their antibacterial and antifungal activities against various pathogenic microorganisms. Gram-positive bacterial strains: Staphylococcus aureus, Bacillus subtilis; Gram-negative bacterial strains: Escherichia coli, Pseudomonas aeruginosa, Salmonella typhi, Klebsiella pneumonia, and fungal strains Candida albicans, Aspergillus niger use two fold serial dilution method. Methods: Some of the synthesized compounds showed promising antibacterial and antifungal activities among the series. Results: Compound 3l shows the best antimicrobial activity which is substantiated by the highest docking score. Conclusion: Structure activity relationships (SAR) as well as virtual ADMET studies were carried out and a connection between activities, electronic and physicochemical properties of the target compounds was determined.