Multicomponent reaction for synthesis, molecular docking, and anti-inflammatory evaluation of novel indole-thiazole hybrid derivatives.

In this article, novel thiazol-indolin-2-one derivatives 4a-f have been synthesized via treatment of thiosemicarbazide (1) with some isatin derivative 2a-f and N-(4-(2-bromoacetyl)phenyl)-4-tolyl-sulfonamide (3) under reflux in ethanol in the presence of triethyl amine (TEA). The structures of new products were elucidated by elemental and spectral analyses. Moreover, all compounds were investigated for their in vivo anti-inflammatory activity using celecoxib as a reference drug. The target compound 4b was the most active anti-inflammatory candidate and exhibited higher edema inhibition (EI = 38.50%) than that recorded by celecoxib (EI = 34.58%) after 3 h. Furthermore, the most active compounds 4b and 4f were subjected to a molecular docking study inside COX-2 enzyme to show their binding interactions. Both compounds 4b and 4f showed good fitting into COX-2 binding site with docking energy scores - 11.45 kcal/mol and - 10.48 kcal/mol, respectively which indicated that compound 4b revealed the most promising and effective anti-inflammatory potential.

One-Pot, Four-Component Reaction for the Design, Synthesis, and SAR Studies of Novel Pyridines for Insecticidal Bioefficacy Screening against Cowpea Aphid (Aphis craccivora).

In this paper, novel pyridines 2-8 were designed and synthesized via the one-pot, four-component reaction of 2-formylphenyl 4-tolylsulfonate with malononitrile, ammonium acetate, and phenols or 2-thioxo-1,3-thiazolidin-4-one or 6-aminopyrimidine-2,4(1H,3H)-dione under microwave irradiation in an aqueous solution of water and ethanol (1:1 ratio). The structures of new pyridines 2-8 were elucidated by elemental and spectral analyses such as IR, 1H NMR, and 13CNMR. This application has many advantages, such as having easy workup, eco-friendliness, reaction time being short (6-13 min), high production (94-98%), inexpensiveness, and avoiding the use of harmful solvents. Moreover, all compounds have been investigated as insecticidal agents against cowpea aphid (Aphis craccivora) insects, and the toxicity effect was studied, followed by the structure-activity relationship. From the LC50 values, it has been found that compounds 7 and 8 were excellent and promising insecticidal agents, with LC50 values of 0.05 and 0.09 ppm against nymphs and 0.93 and 1.01 ppm against adults of cowpea aphid. Furthermore, the obtained results indicated that compounds 2-8 can be applied as insecticidal agents for the control of cowpea aphids and to protect agricultural crops from this destructive pest, which effects crop production and causes major economic damage.

Green biosynthesis of bimetallic ZnO@AuNPs with its formulation into cellulose derivative: biological and environmental applications.

Nanoparticles (NPs) formulation in biopolymers is an attractive process for the researcher to decrease the disadvantages of NPs application alone. Bimetallic NPs are a promising formula of two NPs that usually act as synergetic phenomena. Zinc oxide and gold NPs (ZnO@AuNPs) biosynthesis as a bimetallic was prepared via the eco-friendly manner currently. Carboxymethylcellulose (CMC) was employed for the formulation of ZnO@AuNPs as a nanocomposite via a green method. Physicochemical and topographical characterization was assigned to ZnO@AuNPs and nanocomposite features. The nanostructure of bimetallic NPs and nanocomposite were affirmed with sizes around 15 and 25 nm, respectively. Indeed, the DLS measurements affirmed the more reasonable size and stability of the prepared samples as 27 and 93 nm for bimetallic NPs and nanocomposite, respectively. The inhibitory potential of nanocomposite was more than ZnO@AuNPs against Staphylococcus aureus, Escherichia coli, Salmonella typhi, Enterococcus faecalis, Mucor albicans, Aspergillus flavus, and Mucor circinelloid. ZnO@AuNPs and nanocomposite exhibited antioxidant activity via DPPH with IC50 of 71.38 and 32.4 µg/mL, correspondingly. Excellent anti-diabetic potential of nanocomposite with IC50 of 7.4 µg/mL, and ZnO@AuNPs with IC50 of 9.7 µg/mL was reported compared with the standard acarbose with the IC50 of 50.93 µg/mL for amylase inhibition (%). Photocatalytic degradation of RR195 and RB dyes was performed by ZnO@AuNPs and nanocomposite, where maximum degradation was 85.7 ± 1.53 and 88.7 ± 0.58%, respectively using ZnO@AuNPs, 90.3 ± 0.28 and 91.8 ± 0.27%, respectively using nanocomposite at 100 min.