Isoamyl (E)-3-(3,4-dimethoxyphenyl)acrylate (1) was obtained 95% yield by 2-methyl-6-nitrobenzoic anhydride (MNBA)/4-dimethylaminopyridine (DMAP)-catalyzed reaction at room temperature for 190 minutes in dichloromethane. The structure of isoamyl (E)-3-(3,4-dimethoxyphenyl)acrylate (1) was established by NMR, FTIR, and the high resolution of mass spectroscopies. In vitro sun protection factor evaluation exhibited value of 37.10 ± 0.03 which indicates that isoamyl (E)-3-(3,4-dimethoxyphenyl)acrylate (1) as a sunscreen agent with high protection.

N'-(5-bromofuran-2-carbonyl)isonicotinohydrazide (1) was obtained as a white solid in 83% yield by 2-methyl-6-nitrobenzoic anhydride (MNBA)/4-dimethylaminopyridine (DMAP)-catalyzed reaction of 5-bromofuran-2-carboxylic acid and isoniazid in dichloromethane at room temperature. The structure of N'-(5-bromofuran-2-carbonyl)isonicotinohydrazide (1) was elucidated by 1H NMR, 13C NMR, FTIR, and the high resolution mass spectrometers. Molecular docking screening of the title compound (1) on the cyclooxygenase-2 (COX-2) protein (PDB ID: 5IKR) exhibited that compound (1) has a good binding affinity, suggesting that it is very interesting for further structure optimization and in-depth research as a potential COX-2 inhibitor.

A derivative series of 3,4-dimethoxy-β-nitrostyrene were synthesized and identified including new compound 6. The effect of antimicrobial activity of 3,4-alkyloxy modification of β-nitrostyrene was investigated. A molecular docking was also performed to obtain information about their interactions with Protein Tyrosine Phosphatase 1B (PTP1B). PTP1B containing cysteine 215 and arginine 221 as essential active residues plays a key role in signaling pathways that regulate various cell functions of microorganisms, which also act as negative regulator in signaling pathways of insulin that are involved in type 2 diabetes and other metabolic diseases. Compound 5 and 6 were the most potent as fragment of PTP1B inhibitor based on molecular docking, but compound 5 was more effective against Candida albicans. These compounds interact with serine 216 and arginine 221 residues. However, further research is needed to investigate their potential medicinal use.

5-Bromo-N'-(2-oxoindolin-3-ylidene)furan-2-carbohydrazide (1) was successfully synthesized in 81% yield from commercially available isatin and 5-bromofuran-2-carbohydrazide in acidic conditions under reflux. The structure of synthesized compound 1 was confirmed by 1H and 13C NMR, FTIR, and HRMS spectrometers. This study used in vitro models to investigate the anti-inflammatory activity of compound 1, which included the inhibition of BSA denaturation, proteinase activity, and heat- and hypotonicity-induced hemolysis. Compound 1 displayed an inhibitory effect comparable to the standard drug diclofenac sodium. Compound 1 inhibited 50% of BSA denaturation, proteinase activity, and heat- and hypotonicity-induced hemolysis at concentrations of 3.54, 3.04, 2.25, and 1.82, respectively, while diclofenac sodium was 1.99, 3.38, 2.28, and 2.00 μg/mL, respectively. Furthermore, compound 1 was considered a drug-like candidate with no violation of Lipinski’s rule of five, had good ADME properties, and did not show any toxic properties. A molecular docking study of compound 1 (binding energy -9.63 kcal/mol) revealed that compound 1 occupied a unique channel of the cyclooxygenase active site, contributed to the specificity of COX-2 protein, and interacted with some channel hydrophobic residues. These findings indicated that compound 1 has the potential to be optimized into an anti-inflammatory agent.