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

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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.
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Keywords: Antimicrobial activity; Isatin; SAR study; in silico study; lipinski’s rule

Document Type: Research Article

Publication date: August 1, 2015

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  • Anti-Infective Agents publishes original research, expert reviews, drug clinical trial studies and guest edited issues on all the latest and outstanding developments on the medicinal chemistry, biology, pharmacology and use of anti-infective and anti-parasitic agents. The scope of the journal covers all pre-clinical and clinical research on antimicrobials, antibacterials, antiviral, antifungal, and antiparasitic agents. Anti-Infective Agents is an essential journal for all infectious disease researchers in industry, academia and the health services.
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