Design,synthesis and biological evaluation of 8-substituted-6-hydrazonoindolo[2,1-b]quinazolin-12(6H)-one scaffolds as potential cytotoxic agents: IDO-1 targeting molecular docking studies |
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Authors: | Ramu Guda Rajashekar Korra Siripireddy Balaji Rambabu Palabindela Rakesh Eerla Harikiran Lingabathula Narsimha Reddy Yellu Girijesh Kumar Mamatha Kasula |
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Affiliation: | 1. Department of Chemistry, Kakatiya University, Warangal 506009, India;2. Department of Chemistry Vellore Institute of Technology, Tamilnadu 500046, India;3. Department of Microbiology, Kakatiya University, Warangal 506009, India;4. University College of Pharmaceutical Sciences, Kakatiya University, Warangal, Telangana 506009, India;5. Department of Chemistry and Centre for Advanced Studies in Chemistry, Panjab University, Chandigarh 160014, India |
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Abstract: | Herein, we have reported the synthesis of 18 novel 8-substituted tryptanthrin analogues based on our earlier work. All these tryptanthrin analogues were well characterized by 1H & 13C NMR, FT-IR, Mass Spectrometry and Elemental Analysis. All these 8-substituted analogues were screened for their anti-oxidant activity by DPPH radical scavenging assay. Out of all the tested compounds, T11, T12, T17 and T18 showed potent anti-oxidant activity. The anti-cancer activity have been performed by using MTT assay protocol and their results depicts that compounds having the 4-pyridyl or 4-carboxyphenyl substituents at the 8th position of the tryptanthrin framework are found to be the most promising cytotoxic agent against A549, MCF-7 and HeLa human cancer cell lines compared to others as well as with the standard drug cisplatin. Moreover, the comparative molecular docking studies against the three protein receptors IDO1, EGFR and HER2 strongly suggested that IDO1 is the best target protein, which exhibits lowest binding energies of ?11.73 and ?11.61 kcal mol?1 for T11 and T12 scaffolds, respectively towards the in vitro anti-cancer activity. |
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Keywords: | Tryptanthrin Cytotoxicity Anti-oxidant activity MTT assay DPPH Molecular docking IDO1 |
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