Bonny Y. Patel

A series of indole–pyrazole Schiff base conjugates was synthesized and biologically evaluated, revealing notable antioxidant and antibacterial activities. In free radical scavenging assays, several derivatives exhibited concentration-dependent efficacy, with specific fluorinated, nitrated and methoxy substituted analogues demonstrating the strongest antioxidant performance in both DPPH and hydrogen peroxide scavenging assays, achieving high levels of radical inhibition at 5 mg/mL relative to standard ascorbic acid. Antibacterial screening against S. aureus, E. coli, P. polymyxa, and P. aeruginosa identified key active derivatives exhibiting substantial growth inhibition across multiple strains, with P. aeruginosa displaying exceptional sensitivity. Molecular docking studies corroborated the experimental findings, demonstrating favorable binding interactions of the lead compounds within the active sites of bacterial DNA gyrase targets. Notably, the 4-fluorobenzylidene derivative displayed the highest binding affinity toward both S. aureus DNA gyrase and P. aeruginosa DNA gyrase B, driven by strong and stable ligand–protein interactions. Validation of the docking protocol via self-docking of co-crystallized ligands yielded acceptable root-mean-square deviation (RMSD) values (<3 Å), confirming the predictive reliability of the computational model. Overall, the integrated biological and computational insights underscore the lead fluoro-substituted hybrid as a promising multifunctional candidate, demonstrating that strategic aryl ring substitutions on the indole–pyrazole framework critically modulate both antioxidant and antibacterial potency.

A novel series of β ‐lactam analogues derived from 6‐aminopenicillanic acid (6‐APA) was synthesized and evaluated for their antidiabetic potential through in vitro α‐amylase inhibition, molecular docking, and ADMET studies. Structure–activity analysis revealed that electronic effects and substituent orientation significantly influence activity. Compound 4a (benzaldehyde derivative) showed the highest α‐amylase inhibition (83.71 ± 0.98%), comparable to acarbose (86.61 ± 0.65%), followed by 4d ( para ‐nitro, 82.90 ± 0.19%). Molecular docking studies further demonstrated that 4e , 4f , and 4a exhibited superior binding affinities, with total docking scores of 8.21, 7.93, and 7.81, respectively, surpassing that of acarbose (7.87). ADMET analysis confirmed favorable pharmacokinetic profiles, identifying 4h and 4i as the safest analogues with LD ₅₀ values of 15,000 mg/kg and 2880 mg/kg, respectively. Although the series showed moderate antibacterial activity, all compounds displayed high drug‐likeness scores, with 4a achieving the maximum (0.86). These findings highlight 6‐APA as a privileged scaffold for designing safe and effective nontraditional antidiabetic agents.

Introduction: Piperidine scaffolds have attracted considerable attention for their diverse biological activities. The objective of this study is to design and synthesize piperidinebased Schiff base derivatives and evaluate their α-amylase inhibitory activity to identify potent antidiabetic candidates based on structure-activity relationships. Methods: Piperidine-based Schiff base derivatives were synthesized via condensation reactions and characterized using spectroscopic techniques, including FTIR, NMR, and mass spectrometry. Their antidiabetic potential was assessed through in vitro α-amylase inhibition assays. The inhibitory activity was quantified using a colorimetric DNSA method, measuring the reduction in maltose release. At 1 mg/mL, all compounds and the standard were assayed. Structure-activity relationship (SAR) analysis was conducted to correlate the electronic nature and position of substituents with enzyme inhibition efficiency. Results: The study revealed that para-substituted electron-withdrawing groups (EWGs), specifically fluoro (5a) and chloro (5c), exhibited the highest α-amylase inhibition rates of 75.17 ± 0.73% and 71.48 ± 0.70%, respectively. In contrast, derivatives with electron-donating groups (EDGs), such as methoxy (5i and 5j) and hydroxyl (5g and 5h), showed significantly lower inhibitory activity. These results indicate that para-positioned EWGs enhance enzyme inhibition, highlighting compounds 5a and 5c as promising antidiabetic candidates. Discussion: Substituent type and position on piperidine-based Schiff bases significantly affect α- amylase inhibition. Para-substituted EWGs, especially fluoro and chloro (5a, 5c), enhance activity through improved enzyme binding, while EDGs reduce efficacy. These findings support 5a and 5c as promising leads for antidiabetic drug development. Conclusion: In conclusion, piperidine-based Schiff base derivatives with para and metapositioned electron-withdrawing groups (EWGs), especially fluoro (5a) and chloro (5c), showed strong α-amylase inhibition, indicating their potential as antidiabetic agents. Electron-donating groups (EDGs) reduced activity, emphasizing the critical role of electronic effects on enzyme binding. These results support further development of EWG-substituted derivatives as promising α-amylase inhibitors.

The negative impacts of synthetic dyes on the environment and health have sparked interest in natural dyes as sustainable and eco-friendly alternatives. We have developed a sustainable method for synthesizing novel sesamol-bearing natural azo dye molecules using water as a solvent. These molecules were tested for their color retention and durability on cotton, linen, and silk materials and showed promising results, indicating their potential application in the textile industry. Furthermore, the synthesized compounds demonstrated significant anti-inflammatory effects, making them potential candidates for pharmaceutical applications. One of the synthesized compounds showed the highest inhibition of 97.30±0.36% against the tested materials. This study highlights the potential of these dye molecules as vibrant coloring agents for textiles and candidates for pharmaceutical applications, with significant inhibitory activity observed in compounds diazotized with different amines.

Objective: A novel series of oxazolone-fused 4H-chromene derivatives was synthesized via a piperidine-catalyzed one-pot method using an ethanol–chloroform solvent system. Methods: The compounds were evaluated for their antimicrobial and antioxidant activities, supported by molecular docking and ADMET profiling. Results and Discussion: Compounds 4b and 4c, bearing naphthol substituents, exhibited notable antibacterial, antifungal, and antioxidant effects. Docking studies against Topoisomerase IV (E. coli), CYP51 (C. albicans), and oxidoreductase revealed strong binding affinities: compound 4b showed docking scores of 7.22, 7.14, and 7.92, while 4c scored 7.16, 7.34, and 7.45, respectively. Although 4b demonstrated potent bioactivity, it showed moderate risks of mutagenicity and tumorigenicity, limiting its therapeutic potential. In contrast, compound 4c (2-naphthol derivative) combined strong multitarget activity with a favorable safety profile, highlighting its promise as a lead candidate for further drug development. Conclusions: These results underscore the significance of structural modifications and support the integration of computational tools in early-stage drug discovery.

The structural resemblance between the fused imidazopyridine heterocyclic ring system (a purine system) has prompted biological investigations to assess their potential therapeutic significance. They are known to play a crucial role in numerous disease conditions. In recent years, new preparative methods for the synthesis of imidazopyridines using various catalysts or non-catalytic systems have been described. In the present chapter, we summarise the recent approaches adopted for the synthesis of functionalized imidazo-pyridines over the last two decades along with their clinical advancement and applications. The key points adopted here including, traditional cyclo-condensation, reaction with nitro olefins, reaction with alkynes, 3-CCR (3-Component Condensation Reaction) based MCRs and miscellaneous aspects of imidazo-pyridine along with its biological importance have been presented and discussed. This chapter will provide new initiatives to the chemists towards the synthesis of imidazo-pyridines and possible medicinal applications with the reported methods.