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Preparation, In Silico Studies, In Vitro Antibacterial and Antioxidantal Activity of 4,6-Disubstituted Dihydropyrimidine Thiones

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Abstract

Herein, we discuss the synthesis, in silico studies, antibacterial and antioxidantal activities of titled compounds, which are with biologically active groups. The reaction of chalcones with thiourea produces novel thiopyrimidones with good yields by a simple procedure. In silico studies performed by (a) PASS software, (b) OSIRIS software results are showing that all compounds are having various biological activities; compounds (IV, V, VII and VIII) are having more drug likeness and drug score. In vitro study reveals that, Antibacterial, Antioxidantal activity among the twelve compounds, compounds (I), (X) having good activity, compound (V), (VI) shows excellent activity. The results are supported by the molecular docking study.

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ACKNOWLEDGMENTS

The authors sincerely thank to Dr. C. Purushottham Reddy (Chancellor) Chaitanya Deemed to be University, Warangal, and Prof. P.V. Srilakshmi, National Institute of Technology, Warangal, for their encouragement and suggestions in the research work.

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Authors and Affiliations

  1. Department of Chemistry, Chaitanya Deemed to be University, 506001, Warangal, Telangana, India

    Balije Rakesh, Puskuri Divya & Amarnath Velidandi

  2. Department of Biochemistry, Chaitanya Deemed to be University, 506001, Warangal, Telangana, India

    Rajeshwari KVN

  3. Department of Medical Biomaterials Engineering, College of Biomedical Science Kangwon National University, 24341, Chuncheon, Republic of Korea

    Venkanna Muripiti

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  1. Balije Rakesh
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  2. Puskuri Divya
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  5. Amarnath Velidandi
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Correspondence to Amarnath Velidandi.

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Balije Rakesh, Divya, P., KVN, R. et al. Preparation, In Silico Studies, In Vitro Antibacterial and Antioxidantal Activity of 4,6-Disubstituted Dihydropyrimidine Thiones. Russ J Bioorg Chem 49, 76–80 (2023). https://doi.org/10.1134/S1068162023010247

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