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Vol. 36 No. 1 (2024): Vol 36 Issue 1, 2024

Copyright (c) 2023 S Kalyani Sambaru, Mary Nygi, Manju Devi, Shalini Devi, Akhil I, Arunapriya L, Prashanthi, Premsagar Korripaaly

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This work is licensed under a Creative Commons Attribution 4.0 International License.

Novel Amide Derivatives of Pyrimidinediones: Design, Synthesis, Characterization, Biological Assessment, ADMET and in silico Docking Studies

https://doi.org/10.14233/ajchem.2024.30733
S Kalyani Sambaru
Department of Chemistry, Mahatma Gandhi University, Anneparthy, Nalgonda-508254, India
https://orcid.org/0000-0002-1509-1027
Mary Nygi
Department of Chemistry, Mahatma Gandhi University, Anneparthy, Nalgonda-508254, India Department of Chemistry, Bhavan’s Vivekananda College of Science, Humanities and Commerce, Sainikpuri, Hyderabad-500094, India
https://orcid.org/0000-0001-6416-4053
Manju Devi
Department of Biochemistry, Bhavan’s Vivekananda College of Science, Humanities and Commerce, Sainikpuri, Hyderabad-500094, India
https://orcid.org/0000-0002-2624-2783
Shalini Devi
Department of Microbiology, Bhavan’s Vivekananda College of Science, Humanities and Commerce, Sainikpuri, Hyderabad-500094, India
https://orcid.org/0000-0003-0309-7568
Akhil I
Division of Applied Biology, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad-500007, India
https://orcid.org/0009-0003-7568-7396
Arunapriya L
Department of Chemistry, Bhavan’s Vivekananda College of Science, Humanities and Commerce, Sainikpuri, Hyderabad-500094, India
https://orcid.org/0000-0001-9100-8857
B. Prashanthi
Department of Chemistry, St. Francis College for Women, Begumpet, Hyderabad-500016, India
https://orcid.org/0000-0001-8769-5690
Premsagar Korripaaly
Department of Biotechnology, Mahatma Gandhi University, Anneparthy, Nalgonda-508254, India
https://orcid.org/0000-0002-6371-548X

Corresponding Author(s) : S Kalyani Sambaru

ksambaru@gmail.com

Asian Journal of Chemistry, Vol. 36 No. 1 (2024): Vol 36 Issue 1, 2024

Abstract

In an attempt to synthesize new chemical entities with promising biological activity, a set of six novel pyrimidinedione analogues 6(a-f) was prepared. The compound 4 was coupled with different amines by using HBTU as a coupling reagent. The derivatives were characterized by 1HNMR,13CNMR and HRMS. The analogues were evaluated for their antibacterial and antioxidant activity. The DPPH and ABTS methods were used to test the antioxidant activity of the moieties. Among the six pyrimidinedione analogues, 6b, 6d, and 6f exhibited significant antioxidant effects. The paper disc diffusion method was adopted to evaluate the antibacterial activity of the samples. The analogues 6b, 6c and 6e exhibited potency against gram-negative and gram-positive pathogens. Further, to evaluate the binding abilities of the analogues to the protein active sites, molecular docking studies were performed. The results of the docking studies were found to be consistent with the antibacterial potential of the analogues. The efficacy of these analogues provides insight into their use as novel antioxidant and antibacterial agents.

Keywords

Pyrimidinediones Antioxidant activity Disc diffusion method Molecular docking ADMET
Sambaru, S. K., Kurian, M. N., S, M. D., S, S. D., Akhil, I., Aruna Priya, L., … Korripally, P. (2023). Novel Amide Derivatives of Pyrimidinediones: Design, Synthesis, Characterization, Biological Assessment, ADMET and in silico Docking Studies. Asian Journal of Chemistry, 36(1), 169–176. https://doi.org/10.14233/ajchem.2024.30733
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