Microwave assisted synthesis, characterization and investigation of antibacterial activity of 3-(5-(substituted-phenyl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl)-2<i>H</i>-chromen-2-one derivatives

Ajani, Olayinka O.; Akande, Maria M.; October, Natasha; Siyanbola, T. O.; Aderohunmu, Damilola V.; Akinsiku, Anuoluwa Abimbola; Olorunshola, Shade J.

doi:10.1080/25765299.2019.1632141

Cited by 5 publications

(2 citation statements)

References 40 publications

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“…In this study, three enzymes were used as targets to inspect the potential of thiourea derivatives against MRSA, Gram-negative E. coli, and weak Gram-positive MTB. The synthesised thiourea derivative compounds contain aromatic groups, thio groups (C=S), and amides (H2N-C=O), which are commonly found in the class of antibacterial drugs (Merkl et al, 2010;Lucio et al, 2018;Ajani et al, 2019;Carmen et al, 2020). The synthesis reaction employed a nucleophilic substitution reaction (Figure 1).…”

Section: Designmentioning

confidence: 99%

Synthesis, and molecular docking of thiourea derivatives as antibacterial agents targeting enzymes involved in biosynthesis of bacterial cell wall

Suzana,

Diyah,

Susanti

et al. 2024

Pharm Educ

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Background: New antibacterials are needed due to the increasing resistance of bacteria to existing antibiotics. Thiourea derivative compounds (benzoylthiourea and 1,3-dibenzoylthiourea) contain aromatic groups, thio groups (C=S), and amide groups (H2N-C=O), which are commonly found in the class of antibacterial drugs. Molecular docking can be used to predict their antibacterial activity. Objective: This study aimed to synthesise thiourea derivatives and predict their antibacterial activity by in silico method. Methods: Synthesis was performed using nucleophilic substitution reactions. The synthesised compounds were identified using UV-Vis, FT-IR, and 1H-NMR. Molecular docking was conducted using the MOE program ver 2022.02. Results: Benzoylthiourea (BTU) and 1,3-dibenzoylthiourea (DBTU) compounds were obtained with yields of 36.55% and 12.68%, respectively. The melting point 171-173°C for BTU and 202-204°C for DBTU. Molecular docking results showed higher binding affinity of DBTU against PBP2a (docking score < -5.75 kcal/mol) and FaBH (docking score <-4.7935 kcal/mol) compared to the corresponding native ligands, while the two compounds had lower affinity for the muramyl ligase. Conclusion: BTU and DBTU can be synthesised by nucleophilic substitution reactions. DBTU is predicted to exhibit antibacterial activity against Methicilin Resistant Staphylococcus aureus (MRSA) and Mycobacterium tuberculosis.

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Section: Designmentioning

confidence: 99%

Synthesis, and molecular docking of thiourea derivatives as antibacterial agents targeting enzymes involved in biosynthesis of bacterial cell wall

Suzana,

Diyah,

Susanti

et al. 2024

Pharm Educ

View full text Add to dashboard Cite

show abstract

“…The result showed that the most active antibacterial agent was 3‐(5‐(4‐[diethylamino] phenyl)‐4,5‐dihydro‐1 H ‐pyrazol‐3‐yl)‐2 H ‐chromen‐2‐one 38 j with MIC and MBC values of 3.92 ± 0.22 and 7.82 ± 0.43 mg/mL respectively, that may be attributed to presence of N(Et) 2 moiety (Scheme 9). [ 73 ]…”

Section: Synthesismentioning

confidence: 99%