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Synthesis of N-([1,1'-biphenyl]-4-ylmethyl)-4- methylpyridin-2-amines and Antibacterial Evaluation: Agar Well Diffusion Method, Docking Studies and DFT Insights
Paper Type  |
Contributed Paper |
Title |
Synthesis of N-([1,1'-biphenyl]-4-ylmethyl)-4- methylpyridin-2-amines and Antibacterial Evaluation: Agar Well Diffusion Method, Docking Studies and DFT Insights |
Author |
Numan Sajid, Shehla Khalid, Abid Mahmood, Muhammad Usman Qamar, Nasir Rasool, Muhammad Imran ,Cezario Petru Podasca and Catalin Misarca |
Email |
nasirrasool@gcuf.edu.pk, caesarpodaska@yahoo.com |
|
Abstract: The pharmaceutical sector is facing major concerns in addressing effective drug molecules against extensively drug-resistant S. Typhi. Exploiting the medicinal benefits of amines, we synthesized novel small organic molecules bearing both pyridine and secondary amine linkages. The N-(4-bromobenzyl)-4-methylpyridin-2-amine (3) and derivatives (5a–c) have been synthesized which are effective against multiple drugresistant S. Typhi. Then, the antibacterial efficacy of these compounds was determined by using Agar Well diffusion assay (AWDA). Compound 5b was active (MIC 3.125 mg/mL). Molecular docking studies demonstrated the behavior of small molecules at the binding sites of XDR-S. Typhi 5ZTJ protein through atomic-level interaction. Moreover, the structure elucidation, evaluation of optimized geometry, and molecular stability were done via DFT analysis. |
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Graphical Abstract: |
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Article ID |
e2025023 |
Received Date |
2024-11-27 |
Revised Date |
2025-02-11 |
Accepted Date |
2025-03-11 |
Published Date |
2025-05-15 |
Full Text |
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Keyword |
pyridine-2-amine, XDR S. Typhi, drug resistance, docking studies, DFT |
Volume |
Vol.52 No.3 (May 2025) |
DOI |
https://doi.org/10.12982/CMJS.2025.023 |
Citation |
Sajid N.,Khalid S.,Mahmood A.,Qamar M.,U.,Rasool N.,Imran M., et al., Synthesis of N-([1,1'-biphenyl]-4-ylmethyl)-4- methylpyridin-2-amines and Antibacterial Evaluation: Agar Well Diffusion Method, Docking Studies and DFT Insights, Chiang Mai Journal of Science, 2025; 52(3): e2025023. DOI 10.12982/CMJS.2025.023. |
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