Design, synthesis and molecular docking study of novel triazole–quinazolinone hybrids as antimalarial and antitubercular agents

Mhetre, Udhav V.; Haval, Nitin B.; Bondle, Giribala M.; Rathod, Sanket S.; Choudhari, Prafulla B.; Kumari, Jyothi; Sriram, Dharmarajan; Haval, Kishan P.

doi:10.1016/j.bmcl.2024.129800

Bioorganic & Medicinal Chemistry Letters

2024

DOI: 10.1016/j.bmcl.2024.129800

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Design, synthesis and molecular docking study of novel triazole–quinazolinone hybrids as antimalarial and antitubercular agents

Udhav V. Mhetre,

Nitin B. Haval,

Giribala M. Bondle

et al.

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Cited by 4 publications

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Design, Synthesis, Evaluation of Antitubercular Activity and Insilco Studies of Novel 1,5‐Naphthyridin‐2(1H)‐One Pendent 1,2,3‐Triazoles

Chilakala,

Roy,

Kalia

et al. 2024

Chemistry & Biodiversity

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A library of 1,5‐Naphthyridin‐2(1H)‐one based 1,2,3‐triazole analogues (11a‐q) were synthesized via series of reactions such as protection, oxidation, cyclization and click chemistry. The new molecules were tested for their antitubercular activity against M. tuberculosis mc26230 and determined the minimum inhibitory concentration (MIC90) employing Rifampicin as reference. The 3‐cyano and 4‐cyano substituted analogues 11e and 11f displayed superior activity with an MIC value of 4.0 µg/ml. Additionally, these potent molecules were tested for determination of their MBC values and ATP depletion assay showed a hopeful relative luminescence. Additionally, determined the MIC of 11e and 11f against multi‐drug resistant strains of M. Tuberculosis viz.mc2 8243, mc2 8247 and mc2 8259. The cytotoxicity of these two molecules presented no effects on normal cell. The profound results of these two molecules proved them as potential antitubercular agent. Further, molecular docking studies were portrayed against crystal structure of M. Tuberculosis dihydrofolate reductase which garnered promising docking scores and binding interactions such as H‐bond and hydrophobic. ADME prediction revealed their favorable drug‐likeness characteristics.

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Design, Synthesis, Evaluation of Antitubercular Activity and Insilco Studies of Novel 1,5‐Naphthyridin‐2(1H)‐One Pendent 1,2,3‐Triazoles

Chilakala,

Roy,

Kalia

et al. 2024

Chemistry & Biodiversity

View full text Add to dashboard Cite

show abstract

Pharmacokinetic profiling and network pharmacology of honey-fried Licorice: An Integrative workflow to study traditional Chinese medicines (TCMs)

Zhao,

Yu,

et al. 2024

Journal of Chromatography B

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Design, synthesis and molecular docking study of novel quinoline–triazole molecular hybrids as anticancer agents

Bakale,

Bhagat,

Mhetre

et al. 2025

Journal of Molecular Structure

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Design, synthesis and molecular docking study of novel triazole–quinazolinone hybrids as antimalarial and antitubercular agents

Cited by 4 publications

References 43 publications

Design, Synthesis, Evaluation of Antitubercular Activity and Insilco Studies of Novel 1,5‐Naphthyridin‐2(1H)‐One Pendent 1,2,3‐Triazoles

Design, Synthesis, Evaluation of Antitubercular Activity and Insilco Studies of Novel 1,5‐Naphthyridin‐2(1H)‐One Pendent 1,2,3‐Triazoles

Pharmacokinetic profiling and network pharmacology of honey-fried Licorice: An Integrative workflow to study traditional Chinese medicines (TCMs)

Design, synthesis and molecular docking study of novel quinoline–triazole molecular hybrids as anticancer agents

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