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Acacia honey is characterized by high nutritional, antioxidant, antibacterial and immuno-modulatory values. This work investigated the presence of short and cyclic peptides in Acacia and Ziziphus honey samples. Acacia honey samples (Acacia tortilis and Acacia hamulosa) and three Ziziphus honeys (Ziziphus spina-christi) were screened for their short and cyclic peptide contents using the LC-MS and the chemical structure databases. Moreover, the total protein content was determined using the Bradford method. The A. tortilis honey contained three short peptides; HWCC, DSST, and ECH, and the A. hamulosa honey sample contained five short peptides and one cyclic peptide. The short peptides of the A. hamulosa honey were Ac-GMGHG-OH (Ac-MGGHG-OH), Boc-R(Aloc)2-C(Pal)-OH, H-C (1)-NEt2·H-C (1)-NEt2, APAP (AAPP), and GAFQ (deamino-2-pyrid-4-yl-glycyl-dl-alanyl-dl-norvalyl-dl-asparagine). The cyclic peptide of the A. hamulosa honey was cyclo[Aad-RGD-d-F] (cyclo[Aad-Arg-Gly-Asp-d-Phe]). The Ziziphus honey was characterized by the presence of either Almiramide B or Auristatin-6-AQ. A. tortilis, A. hamulosa, and Ziziphus honeys are characterized by the presence of short and cyclic peptides which may contribute to their medicinal values.

Honey is known for its content of biomolecules, such as enzymes. The enzymes of honey originate from bees, plant nectars, secretions or excretions of plant-sucking insects, or from microorganisms such as yeasts. Honey can be characterized by enzyme-catalyzed and non-enzymatic reactions. Notable examples of enzyme-catalyzed reactions are the production of hydrogen peroxide through glucose oxidase activity and the conversion of hydrogen peroxide to water and oxygen by catalase enzymes. Production of hydroxymethylfurfural (HMF) from glucose or fructose is an example of non-enzymatic reactions in honey.

Novel multifunctional wound dressing with the ability to protect, cure and sense the healing process, was developed. Red-cabbage extract has been reported to exhibit bioactive compounds with the ability to function as antioxidant, antiinflammatory, anticancer, antibacterial, antifungal, and antiviral agent, as well as a natural pH-sensory chromophoric material. An anthocyanin extract was prepared from Red-cabbage (Brassica oleracea L. Var. capitata). The anthocyanins extract was encapsulated into calcium alginate in the presence of potash alum mordant, which was then applied to the surface of the cotton gauze. Red-cabbage based anthocyanin chromophoric extract was encapsulated at different concentrations into alginate-based hydrogel and immobilized into cotton gauze to provide a smart therapeutic pH-responsive wound dress to function as an antimicrobial and biochromic matrix providing a comfortable dress sensor to monitor the wound status. Decreasing the pH of a wound mimic solution caused a blue shift from 579 to 437 nm. The anthocyanin spectroscopic probe's halochromic activity demonstrated a colorimetric change from purple to pink, which was critical to the dyed cotton diagnostic assay's biochromic performance. The colorimetric parameters of the prepared dressing sensor were proved by UV-Vis absorbance and CIE Lab coordinates. Both mechanical and morphological properties of the prepared dressing were studied using different analytical methods. The effect of anthocyanin concentration on the mechanical, water vapor permeability, water absorption and morphological properties of the wound dressing were investigated. No substantial flaws in air-permeability or bend length were detected after dyeing. The colored cotton gauze samples were tested for their high colorfastness. The cytotoxicity and antimicrobial activity of the prepared biochromic cotton gauze were explored. The dyed cotton samples exhibited no cytotoxicity and improved antimicrobial activity with increasing the anthocyanin ratio on cotton surface., (Copyright © 2022 Elsevier B.V. All rights reserved.)

A novel series of 1-aryl- N -[4-phenyl-5-(arylazo)thiazol-2-yl)methanimines has been synthesized via the condensation of 2-amino-4-phenyl-5-arylazothiazole with various aromatic aldehydes. The synthesized imines were characterized by spectroscopic techniques, namely 1 H and 13 C-NMR, FTIR, MS, and Elemental Analysis. A molecular comparative docking study for 3a-f was calculated, with reference to two approved drugs, Molnupiravir and Remdesivir, using 7BQY (M pro ; PDB code 7BQY; resolution: 1.7 A°) under identical conditions. The binding scores against 7BQY were in the range of -7.7 to -8.7 kcal/mol for 3a-f . The high scores of the compounds indicated an enhanced binding affinity of the molecules to the receptor. This is due to the hydrophobic interactions and multi-hydrogen bonds between 3a-f ligands and the receptor's active amino acid residues. The main aim of using in silco molecular docking was to rank 3a-f with respect to the approved drugs, Molnupiravir and Remdesivir, using free energy methods as greener pastures. A further interesting comparison presented the laydown of the ligands before and after molecular docking. These results and other supporting statistical analyses suggested that ligands 3a-f deserve further investigation in the context of potential therapeutic agents for COVID-19. Free-cost, PASS, SwissADME, and Way2drug were used in this research paper to determine the possible biological activities and cytotoxicity of 3a-f .

Pyridazine and thiazole derivatives have various biological activities such as antimicrobial, analgesic, anticancer, anticonvulsant, antitubercular and other anticipated biological properties. Chitosan can be used as heterogeneous phase transfer basic biocatalyst in heterocyclic syntheses. Novel 1-thiazolyl-pyridazinedione derivatives were prepared via multicomponent synthesis under microwave irradiation as ecofriendly energy source and using the eco-friendly naturally occurring chitosan basic catalyst with high/efficient yields and short reaction time. All the prepared compounds were fully characterized by spectroscopic methods, and their in vitro biological activities were investigated. The obtained results were compared with those of standard antibacterial/antifungal agents. DFT calculations and molecular docking studies were used to investigate the electronic properties and molecular interactions with specific microbial receptors.

A novel series of some hydrazones bearing thiazole moiety were generated via solvent-drop grinding of thiazole carbohydrazide 2 with various carbonyl compounds. Also, dehydrative-cyclocondensation of 2 with active methylene compounds or anhydrides gave the respective pyarzole or pyrazine derivatives. The structures of the newly synthesized compounds were established based on spectroscopic evidences and their alternative syntheses. Additionally, the anti-viral activity of all the products was tested against SARS-CoV-2 main protease (M pro ) using molecular docking combined with molecular dynamics simulation (MDS). The average binding affinities of the compounds 3a , 3b , and 3c (-8.1 ± 0.33 kcal/mol, -8.0 ± 0.35 kcal/mol, and -8.2 ± 0.21 kcal/mol, respectively) are better than that of the positive control Nelfinavir (-6.9 ± 0.51 kcal/mol). This shows the possibility of these three compounds to effectively bind to SARS-CoV-2 Mpro and hence, contradict the virus lifecycle., Competing Interests: The authors declare that there is no conflict of interest regarding the publication of this paper.

An improved methodology is reported for the synthesis of new series of mesotetrakis[aryl]-21H,23H-porphyrin derivatives 2a-h and was considered as a model to study their antioxidant and cytotoxic activities. The structures of the novel compounds were determined in 1 H and 13 C NMR, UV-Vis, and elemental analyses. Among the derivatives, compounds 2c, 2d, and 2h showed strongest radical-scavenging activity. Moreover, according to our results, compounds 2c, 2d, 2g, and 2h have very strong activity against the HepG2 hepatoma cell line, with IC 50 values from 9 to 25 μg/mL. Molecular docking was performed to investigate the binding between the most active porphyrin derivatives 2c, 2d, 2g, 2h and the two molecular targets Bcl-2 and caspase-3. Compounds 2c and 2d seem to have better affinities to both proteins than 2g and 2h., (© 2019 Deutsche Pharmazeutische Gesellschaft.)

A novel series of thiazole-based heterocycles was synthesized using 1,3-dipolar cycloaddition reactions in the presence of chitosan-grafted-poly(vinylpyridine) as an eco-friendly biopolymeric basic catalyst. The molecular structure of the synthesized compounds was illustrated by spectroscopic and elemental analysis. Various in vitro biological assays were performed to explore the potential antitumor, antimicrobial and hepatoprotective activities of the newly synthesized compounds. The cytotoxic activities were assessed against human hepatocellular carcinoma (HepG-2), colorectal carcinoma (HCT-116) and breast cancer (MCF-7) cell lines and results revealed that all compounds displayed antitumor activities with the chlorine-containing derivatives, 11c and 6g , being the most potent. The majority of the tested thiazole derivatives exhibited satisfactory antibacterial activity towards the used gram positive and gram-negative bacterial species. Moreover, many derivatives showed weak hepatoprotective activity against CCl₄-induced hepatotoxicity.

N-(pyridin-2-yl)hydrazinecarbothioamide has been synthesized and characterized by single-crystal X-ray and spectroscopic techniques. Furthermore, its geometry optimization, calculated vibrational frequencies, non-linear optical properties, electrostatic potential and average local ionization energy properties of molecular surface were being evaluated using Jaguar program in the Schrödinger's set on the basis of the density functional concept to pretend the molecular geometry and predict properties of molecule performed by the hybrid density functional routine B3LYP. Furthermore, the docking study of N-(pyridin-2-yl)hydrazinecarbothioamide were applied against negative Escherichia coli bacterial and gram positive Staphylococcus aureus bacterial strains by Schrödinger suite program using XP glide protocol.

A new series of 2-amino-5-arylazothiazole derivatives has been designed and synthesized in 61-78% yields and screened as potential antibacterial drug candidates against the Gram negative bacterium Escherichia coli. The geometry of the title compounds were being studied using the Material Studio package and semi-core pseudopods calculations (dspp) were performed with the double numerica basis sets plus polarization functional (DNP) to predict the properties of materials using the hybrid FT/B3LYP method. Modeling calculations, especially the (E H -E L ) difference and the energetic parameters revealed that some of the title compounds may be promising tools for further research work and the activity is structure dependent., Competing Interests: The authors declare no conflicts of interest.

A series of substituted 1,8-naphthyridine derivatives was synthesized to be used as cytotoxic and antioxidant agents by applying 1,4-dihydro-4-oxo-1,8-naphthyridine-3-carbohydrazide (1) as the starting material. Compound 1 was reacted with different reagents to afford the corresponding 3-heterarylcarbonyl-1,8-naphthyridine derivatives 3-19 which were tested for their in vitro cytotoxicity against Ehrlich Ascites Carcinoma, and antioxidant activity. Compound 15 showed the best cytotoxicity and antioxidant activity.

2-Cyano-N-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (2) was utilized as key intermediate for the synthesis of some new coumarin 3, pyridine 4, pyrrole 5, thiazole 8, pyrido[2',3':3,4]-pyrazolo-[5,1-c]triazine 7, and aminopyrazolo 10 compounds. 2-Cyano-N-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(dimethylamino)acrylamide (11) was synthesized and allowed to react with hydroxylamine, hydrazine, and guanidine to afford regioselectively the isoxazole 13, pyrazole 15, and pyrimidine 17 derivatives, respectively. The reaction of 11 with thiourea and/or with ethyl glycinate in basic medium afforded the regioisomeric pyrimidinethione 18 and 3,5-dioxo-1,4-diazepine-6-carbonitrile 23. All the synthesized products were tested and evaluated as antimicrobial agents., (© 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

The reactions of 2-phenyl-4-arylmethylene-2-oxazolin-5-ones (1a, b) and 2-phenyl-4-arylazo-2-oxazolin-5-ones (8a, b) with p-aminoazobenzene derivatives (2a-c) gave the corresponding imidazolone derivatives (4a-f) and triazole derivatives (10a-f), respectively. Also, the reaction of 1a with o-aminophenol to give the imidazolone derivative 5 was studied. The reaction of 1a with 2,4-dinitrophenylhydrazine gave the corresponding 1,2,4-triazine derivatives 14a-c, respectively. The newly synthesized compounds were screened for their antibacterial activity against Gram-positive (Bacillus subtilis and Bacillus thuringiensis), Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) and in vitro antifungal potential against Fusarium oxysporum and Botrytis fabae fungal strains. The results revealed that the investigated compounds exhibited antibacterial and a significant antifungal activity., (Copyright © 2012 Elsevier B.V. All rights reserved.)