What does this research mean for the field?

Specific Schiff-base derivatives of benzothiazoles and benzamides, particularly those with 4-ethoxy, 2-hydroxy, and 2-fluoro aryl substitutions, demonstrate potent broad-spectrum in vitro antimicrobial activity and strong binding affinity to key microbial enzymes. Novelty: ClaimNovelty.NOVEL_FINDING. Consensus alignment: ConsensusAlignment.NEUTRAL.

What question did this study set out to answer?

To design, synthesize, and evaluate novel Schiff-base derivatives of benzothiazoles and benzamides as potential broad-spectrum antimicrobial agents combating antimicrobial resistance.

September 14, 2026ChemMedChem

Schiff Base Derivatives of Benzothiazole and Benzamide as Promising Antimicrobial Agents: Integrated In Silico and In Vitro Evaluation

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Authors

TOTemitope A. Ogunnupebi GOGbolahan O. Oduselu OEOluwadunni F Elebiju

Discussion

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Overview

In vitro and in silico evaluation reveals potent antimicrobial activity of novel Schiff base derivatives against bacterial and fungal targets, highlighting promising leads against drug resistance.

Key Points

To design, synthesize, and evaluate novel Schiff-base derivatives of benzothiazoles and benzamides as potential broad-spectrum antimicrobial agents combating antimicrobial resistance.
Synthesized libraries of benzothiazoles (2a–2f) and benzamides (5a–5i) using microwave-assisted synthesis, characterized by 1H-/13C-NMR, FT-IR, and UV–Vis spectroscopy.
Conducted in silico ADMET profiling, molecular docking, and molecular dynamics simulations against E. coli glucosamine-6-phosphate synthase (2VF5) and C. albicans lanosterol 14α-demethylase (5V5Z).
Assessed in vitro antibacterial activity against Gram-positive and Gram-negative strains and antifungal activity against C. albicans and A. fumigatus via minimum inhibitory concentration (MIC) assays.
Molecular docking demonstrated high binding affinities exceeding standard drugs, with compounds 5f and 2f yielding −8.1 and −8.0 kcal/mol for 2VF5, and compounds 2a and 5h yielding −9.7 and −9.6 kcal/mol for 5V5Z.
Compounds 5h, 5f, and 2a showed potent antibacterial efficacy with MICs ranging from 3.13 to 12.5 µg/mL and antifungal activity with MICs ranging from 6.25 to 12.5 µg/mL.
Structure–activity relationship analysis demonstrated that bioactivity depended heavily on aryl substitutions (specifically 4-ethoxy, 2-hydroxy, and 2-fluoro groups), whereas unsubstituted analogues remained inactive.

Cite This Study

Ogunnupebi et al. (2026) studied this question.

synapsesocial.com/papers/6aa7dfc60926e14a848b3d8e https://doi.org/10.1002/cmdc.70499

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September 14, 2026ChemMedChem

Schiff Base Derivatives of Benzothiazole and Benzamide as Promising Antimicrobial Agents: Integrated In Silico and In Vitro Evaluation

View Full Paper

Ask AI

Bookmark

Authors

TOTemitope A. Ogunnupebi GOGbolahan O. Oduselu OEOluwadunni F Elebiju

Discussion

Member takes

Overview

In vitro and in silico evaluation reveals potent antimicrobial activity of novel Schiff base derivatives against bacterial and fungal targets, highlighting promising leads against drug resistance.

Key Points

To design, synthesize, and evaluate novel Schiff-base derivatives of benzothiazoles and benzamides as potential broad-spectrum antimicrobial agents combating antimicrobial resistance.
Synthesized libraries of benzothiazoles (2a–2f) and benzamides (5a–5i) using microwave-assisted synthesis, characterized by 1H-/13C-NMR, FT-IR, and UV–Vis spectroscopy.
Conducted in silico ADMET profiling, molecular docking, and molecular dynamics simulations against E. coli glucosamine-6-phosphate synthase (2VF5) and C. albicans lanosterol 14α-demethylase (5V5Z).
Assessed in vitro antibacterial activity against Gram-positive and Gram-negative strains and antifungal activity against C. albicans and A. fumigatus via minimum inhibitory concentration (MIC) assays.
Molecular docking demonstrated high binding affinities exceeding standard drugs, with compounds 5f and 2f yielding −8.1 and −8.0 kcal/mol for 2VF5, and compounds 2a and 5h yielding −9.7 and −9.6 kcal/mol for 5V5Z.
Compounds 5h, 5f, and 2a showed potent antibacterial efficacy with MICs ranging from 3.13 to 12.5 µg/mL and antifungal activity with MICs ranging from 6.25 to 12.5 µg/mL.
Structure–activity relationship analysis demonstrated that bioactivity depended heavily on aryl substitutions (specifically 4-ethoxy, 2-hydroxy, and 2-fluoro groups), whereas unsubstituted analogues remained inactive.

Cite This Study

Ogunnupebi et al. (2026) studied this question.

synapsesocial.com/papers/6aa7dfc60926e14a848b3d8e https://doi.org/10.1002/cmdc.70499

View Full Paper

Ask AI

Bookmark