Synthesis and structure–activity relationship studies of mono- and <i>bis</i>-thiourea derivatives featuring halogenated azo dyes with antimicrobial properties

Ngaini, Zainab; Halim, Ainaa Nadiah Abd; Rasin, Ferlicia; Zullkiplee, Wan Sharifatun Handayani Wan

doi:10.1080/10426507.2022.2046577

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2024

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Cited by 3 publications

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“…39). 103,104 Three novel uorinated acyl thioureas (105a-c) were synthesized and investigated for their antibacterial activity against Gram-negative (P. aeruginosa and E. coli) and Grampositive (B. cereus and S. aureus) bacteria (Fig. 40).…”

Section: Biological Aspectsmentioning

confidence: 99%

Exploring the latest trends in chemistry, structure, coordination, and diverse applications of 1-acyl-3-substituted thioureas: a comprehensive review

Ullah,

Saeed,

Azeem

et al. 2024

RSC Adv.

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Section: Biological Aspectsmentioning

confidence: 99%

Exploring the latest trends in chemistry, structure, coordination, and diverse applications of 1-acyl-3-substituted thioureas: a comprehensive review

Ullah,

Saeed,

Azeem

et al. 2024

RSC Adv.

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DFT, Molecular Docking and ADME Studies of Thiazolidinones as Tyrosinase Inhibitors

Arshad¹,

Khan

Mutahir

et al. 2022

Polycyclic Aromatic Compounds

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In vitro antimicrobial activities, molecular docking and density functional theory (DFT) evaluation of natural product-based vanillin derivatives featuring halogenated azo dyes

Ngaini,

Hissam,

Mortadza

et al. 2023

Natural Product Research

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Chemical modification of active scaffolds from natural products has gained interest in pharmaceutical industries. Nevertheless, the metabolites extraction is time-consuming while the lead is frequently mismatched with the receptor. Here, the diazo coupling approach was introduced to generate a series of vanillin derivatives featuring halogenated azo dyes (1a-h).The vanillin derivatives showed effective inhibition of S. aureus (7-9 mm) and E. coli (7-8 mm) compared to the parent vanillin, while 1b had the highest inhibition zone (9 mm) against S. aureus comparable to the reference ampicillin. The presence of N=N, C=O, -OH, -OCH3 and halogens established strategic binding interactions with the receptor. The potential vanillinazo as an antimicrobial drug was supported by in silico docking with penicillin-binding proteins and DFT (using Gaussian 09) with binding affinity -7.5 kcal/mol and energy gap (Egap) 3.77 eV, respectively. This study represents a significant advancement in drug discovery for effective antibiotics with excellent properties.

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Synthesis and structure–activity relationship studies of mono- and bis-thiourea derivatives featuring halogenated azo dyes with antimicrobial properties

Cited by 3 publications

References 51 publications

Exploring the latest trends in chemistry, structure, coordination, and diverse applications of 1-acyl-3-substituted thioureas: a comprehensive review

Exploring the latest trends in chemistry, structure, coordination, and diverse applications of 1-acyl-3-substituted thioureas: a comprehensive review

DFT, Molecular Docking and ADME Studies of Thiazolidinones as Tyrosinase Inhibitors

In vitro antimicrobial activities, molecular docking and density functional theory (DFT) evaluation of natural product-based vanillin derivatives featuring halogenated azo dyes

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