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Anti-TB evaluation of novel 2,3-dihydroquinazolin-4(1H)-ones and in silico studies of the active compounds

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Abstract

In vitro anti-tubercular activity of a series of 15 novel 2,3-dihydroquinazolin-4(1H)-one analogues were evaluated against Mycobacterium tuberculosis H37Ra (ATCC 25177 strain). Among the series, seven compounds showed moderate to good anti-TB activity with minimum inhibitory concentration (MIC) values ranging from 25.0–12.5 μg/mL. Further, in silico experiments were carried out to identify the probable ligand-protein interaction. Molecular docking of the target compounds into the active site of enzymes 1DQY Antigen 85C from Mycobacterium Tuberculosis and 2NSD Enoyl Acyl Carrier Protein Reductase reveals notable information on the possible binding interactions.

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Acknowledgements

DS is thankful to Department of Biotechnology, Ministry of Science and Technology, New Delhi, India for a research grant (BT/PR24684/NER/95/810/2017). AD thanks DBT, New Delhi for Research Fellowship. The financial assistance of UGC-SAP programme to the Department of Chemistry, Dibrugarh University is also gratefully acknowledged.

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Authors and Affiliations

  1. Department of Chemistry, Dibrugarh University, Dibrugarh, Assam, 786004, India

    Apurba Dutta & Diganta Sarma

  2. Biochemistry Division, Central Drug Research Institute, CSIR, Lucknow, 226001, India

    Priyanka Trivedi & Vinita Chaturvedi

  3. Department of Life Sciences, Dibrugarh University, Dibrugarh, Assam, 786004, India

    Dipshikha Gogoi & Pankaj Chetia

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  1. Apurba Dutta
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  2. Priyanka Trivedi
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  3. Dipshikha Gogoi
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  4. Pankaj Chetia
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  5. Vinita Chaturvedi
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  6. Diganta Sarma
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Correspondence to Vinita Chaturvedi or Diganta Sarma.

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Dutta, A., Trivedi, P., Gogoi, D. et al. Anti-TB evaluation of novel 2,3-dihydroquinazolin-4(1H)-ones and in silico studies of the active compounds. Med Chem Res 30, 1366–1376 (2021). https://doi.org/10.1007/s00044-021-02733-6

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  • DOI: https://doi.org/10.1007/s00044-021-02733-6

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