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Compound 4,4′‐(1,4‐phenylenebis(thiazole‐4,2‐diyl))bis(1H‐pyrazol‐5‐amine) (5) was used in the preparation of novel pyrazolo[1,5‐a]pyrimidines incorporating a thiazole moiety (6, 7b, 8, 9, and 13–18). the reactions were described via the following reactions: acetylacetone, acetanilide, diethyl malonate, ethyl cyanoacetate, 3‐(dimethylamino)‐1‐phenylprop‐2‐en‐1‐one, 2‐((dimethylamino)methylene)‐3‐oxopentane‐nitrile, 3‐(dimethylamino)‐1‐(thiophen‐3‐yl)prop‐2‐en‐1‐one, 2‐((dimethylamino)methylene)‐5,5‐dimethylcyclo‐hexane‐1,3‐dione, dimethylformamide‐dimethylacetal, and with a mixture of p‐nitro benzaldehyde/cyclohexanone, respectively. Gram‐positive bacteria B. subtilis and B. thuringiensis, as well as Gram‐negative bacteria E. coli and P. aeruginosa, were tested for the newly synthesized compounds' in vitro antibacterial activity. Their in vitro antifungal activity against fungus strains B. Fabae and F. oxysporum was also assessed. The compounds 16–18 had the strongest activity against Gram‐positive bacteria, with MIC values = 3.125 µg/mL against B. subtilis, which is equipotent to the drug reference Chloramphenicol, and MIC values = 6.25 µg/mL against B. thuringiensis, which is equipotent to the drug reference Cephalothin. Compounds (13–18) were shown to be superimposable to CNB based on their docking results, with the exception of derivative 18. Furthermore, they demonstrated a strong binding mode with DNA gyrase B's active pocket (PDB: 1KZN) by forming several contacts with the enzyme's essential amino acids in a way that was comparable to CNB. [ABSTRACT FROM AUTHOR]

Upon reaction with α,β‐unsaturated nitriles (2 a–d) and/or salicylaldehyde, 3‐(naphthalen‐2‐yl)‐3‐oxopropanenitrile (1) yields pyridine derivatives 3 a–d and/or the imino chromene derivative 4. Compound 1 reacted with phenyl isothiocyanate in a basic medium to give the intermediate potassium salt 6. Upon stirring at room temperature, the intermediate 6 with some α‐halogenated compounds yielded the acyclic compounds 7, 9, 11, 13, and 15. On the other hand, refluxing intermediate 6 with the same α‐halogenated compounds in DMF in the presence of TEA afforded the corresponding thiophene derivatives 8, 10, 12, 14, and 16. The reaction of thiol 17 with hydrazine hydrate derivatives 18 a–d yielded the corresponding pyrazole derivatives 21 a–d. Compound 20 reacted with o‐phenylenediamine or o‐aminothiophenol in the presence of DMF/TEA to give the corresponding benzothiazole or benzoimidazole derivatives 27 a and 27 b, respectively. Thirty new synthesized compounds were examined for their antibacterial activity against Gram‐positive bacteria including S. aureus and B. subtilis, Gram‐negative bacteria such as P. aeruginosa and E. coli, and yeast‐like fungi like C. albicans in vitro. Compounds 15, 16, 21 d, 27 a, 27 b, exhibited the highest antibacterial activity against Gram‐positive bacteria. Molecular docking experiments were conducted to explore the binding affinities and interaction modalities of selected derivatives with the target PDB‐3cmt protein. [ABSTRACT FROM AUTHOR]

A series of aryl-diazinyl-cyanoacetamide (2a–l) were prepared by coupling the appropriate diazotized arylamines with dioxoisoindoline cyanaoacetamide (1). Also, the cyclization of azo derivatives (2f, 2h, and 2j) with chloroacetonitrile to yield the pyrazole derivatives (5f, 5h, and 5j) was studied. Moreover, compound 2d reacts with malononitrile to afford compound (6e). In a similar manner compound, 2d reacts with hydroxylamine to afford the sole product tetrazine derivative 8d. All the newly synthesized compounds were fully characterized by both analytical and spectral analyses. The geometries of the azo and hydrazo tautomeric forms were optimized at the B3LYP/6-311G level of theory. The dyeing performance of the synthesized dyes on polyester fibers has been assessed. Most of the dyes showed a good affinity to polyester fibers. No details regarding the synthesis and dyeing performance of such dyes are reported before in the literature. [ABSTRACT FROM AUTHOR]

A series of some new 1,3,4‐oxadiazole derivatives was synthesized. Hydrazide derivative 4 was reacted with some sugar aldehydes to give the corresponding sugar hydrazones 5 a–c. Acetylation of 5 a–c with acetic anhydride in pyridine, managed the per‐O‐acetyl derivatives 6 a–c while refluxing in acetic anhydride gave the corresponding 1,3,4‐oxadiazolines 7 a–c. On the other hand, 1,3,4‐oxadiazoles 8 a,b, 9, 10, 12, 14, and 15 were synthesized via the reaction of 4 with different reagents including p‐chlorobenzoic acid, nicotinic acid, methyl iodide, morpholine, phenyl isothiocyanate, potassium iodide, chloroacetyl chloride, and phosphorus oxychloride, respectively. The new compounds were assessed for their anticancer and antioxidant activities. Compounds 8 a,b, 10, and 12–15 displayed the most antioxidant activity. In addition, compounds 8 a, 8 b, and 13 showed strong cytotoxic activity. [ABSTRACT FROM AUTHOR]

Several pyridopyrimidine derivatives have been synthesized through different synthetic processes. The different physicochemical factors for their synthesis were also discussed. A comparison between the conventional and microwave-assisted synthesis was conducted by comparing total time of reaction and its yield percentage. Most of the produced uracils were established for their anti-inflammatory, analgesic, and antioxidant activities. Compounds 1 and 3 were demonstrated as the best results against DNA damage, whereas compounds 2a and 2b exhibited an effective anti-inflammatory activity. Moreover, the Lipinski rule parameters were calculated for the synthesized compounds. The results indicated that compounds 1, 2a and 5 have good potential for subsequent development bioactivity.

Medicinal research has focused on the discovery and progress of anticancer drugs. Carbazole and thiazole are organic heterocyclic compounds that are the building blocks for synthetic and natural pharmaceutical compounds. Thus, this research article involves the synthesis of nine carbazole linked thiazolidinone derivatives from the Knoevenagel reaction of 9-ethylcarbazole-3-carbaldehyde with several thiazolidine-5-one and thiazolin-4-one derivatives. The structures of these compounds were confirmed by spectroscopic tools such as IR, 1H and 13C NMR, and mass spectrometry. The MTT assay, using Cisplatin as a reference drug, was used to test the cytotoxicity of the synthesized carbazole-thiazole analogous against three different cell lines: breast cancer (MCF-7), hepatocellular carcinoma (HepG-2), and colon carcinoma (HCT-116). The 3b and 5c molecules were the most effective antitumor drugs against the three cell lines. Compound 3b has IC50 values of (0.0304 ± 0.001, 0.058 ± 0.002 and 0.047 ± 0.002 µM) for HepG-2, MCF-7, and HCT-116, respectively. When examined on HepG-2, MCF-7, and HCT-116 cell lines, the IC50 values revealed by component 5c were (0.048 ± 0.002, 0.086 ± 0.0025 and 0.06 ± 0.007 µM), respectively. [ABSTRACT FROM AUTHOR]

In our research, we produced some novel porphyrin derivatives 4a–g in high yields. We also synthesized and characterized some of their metalloporphyrin complexes 5–11. The structures of these novel porphyrins were assured by spectroscopic techniques. The geometric structure and magnetic properties of metallo-porphyrins 5–11 have also been studied. Antiviral and antitumor activities were estimated and the structures activity relationships were accomplished. The Porphyrin derivatives 4g, 4f, 9, 10 and 11 displayed strong antiviral activity for HSV-1 compared to Aphidicoline as reference. While derivatives 4g and 6 exhibited very strong activity against HIV-1. Porphyrin derivatives 4g, 6, 9, and 10, in general, displayed strong activity against all the tested human cell lines. [ABSTRACT FROM AUTHOR]

Novel heterocyclic compounds containing a benzothiazole moiety (2–16) were synthesized via the reaction of benzothiazole cyanoacetamide derivative (2) with different types of reagents. All compounds were characterized by 1H NMR, MS, and IR techniques. The newly synthesized compounds were examined for their in vitro antibacterial activity against Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus), Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa), and fungi (Candida albicans) microorganisms. Compounds (5, 6, 7, and 15) are promising antimicrobial agents and could be the lead compounds for more potent drugs. Binding modes of the synthesized compounds were analyzed by docking studies that showed good binding scores against the diverse amino acids of the two selected proteins (PDB Codes – 2EXB and 3HUN). The conducted docking studies were found to be consistent with antimicrobial results. Thus, the results indicate that the designed structures can be a potential lead as antimicrobial agents. [ABSTRACT FROM AUTHOR]