Abstract
Michael addition of indole derivatives with various substituted nitrostyrenes to yield β- indolylnitroalkanes is accomplished effectively under solvent free conditions using TiO2-SO42- as efficient catalyst at 60 º C. All the synthesized compounds were screened for their antibacterial activity through in silico and in vitro methods. The molecular docking studies against FabH enzyme, a potential drug target of bacterial fatty acid biosynthetic pathway indicated the scope of developing them a new class of antimicrobial agents. Among the title compounds, 5h exhibited the highest dock score and the highest antibacterial activity when compared with other compounds and the standard drug Ampicillin. In addition, the compounds 5d, 5e, 5g, 5h, 5i, 5j and 5l showed significant inhibitory activity at different dose concentrations under in vitro conditions against the specified bacterial strains thus qualifying for further clinical evaluation so that they can be used as effective anti-bacterial agents.
Keywords: Michael addition, β-indolylnitroalkanes, TiO2-SO42-, FabH, in silico, in vitro, antibacterial, molecular docking.
Combinatorial Chemistry & High Throughput Screening
Title:TiO2-SO42- Catalyzed Synthesis and Antimicrobial Activity / Molecular Docking Studies of β-Indolylnitroalkanes
Volume: 19 Issue: 4
Author(s): Sarva Santhisudha, Soora Harinath Jayaprakash, Gundluru Mohan, Yellapu Nanda Kumar, Vaithiyanathan Suganthi, Vaithiyalingam Mohanasrinivasan and Cirandur Suresh Reddy
Affiliation:
Keywords: Michael addition, β-indolylnitroalkanes, TiO2-SO42-, FabH, in silico, in vitro, antibacterial, molecular docking.
Abstract: Michael addition of indole derivatives with various substituted nitrostyrenes to yield β- indolylnitroalkanes is accomplished effectively under solvent free conditions using TiO2-SO42- as efficient catalyst at 60 º C. All the synthesized compounds were screened for their antibacterial activity through in silico and in vitro methods. The molecular docking studies against FabH enzyme, a potential drug target of bacterial fatty acid biosynthetic pathway indicated the scope of developing them a new class of antimicrobial agents. Among the title compounds, 5h exhibited the highest dock score and the highest antibacterial activity when compared with other compounds and the standard drug Ampicillin. In addition, the compounds 5d, 5e, 5g, 5h, 5i, 5j and 5l showed significant inhibitory activity at different dose concentrations under in vitro conditions against the specified bacterial strains thus qualifying for further clinical evaluation so that they can be used as effective anti-bacterial agents.
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Santhisudha Sarva, Harinath Jayaprakash Soora, Mohan Gundluru, Nanda Kumar Yellapu, Suganthi Vaithiyanathan, Mohanasrinivasan Vaithiyalingam and Suresh Reddy Cirandur, TiO2-SO42- Catalyzed Synthesis and Antimicrobial Activity / Molecular Docking Studies of β-Indolylnitroalkanes, Combinatorial Chemistry & High Throughput Screening 2016; 19 (4) . https://dx.doi.org/10.2174/1386207319666160315113237
DOI https://dx.doi.org/10.2174/1386207319666160315113237 |
Print ISSN 1386-2073 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5402 |
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