Novel Anthranilic Acid Hybrids—An Alternative Weapon against Inflammatory Diseases

Milusheva, Miglena; Todorova, Mina; Gledacheva, Vera; Stefanova, Iliyana; Feizi-Dehnayebi, Mehran; Pencheva, Mina; Nedialkov, Paraskev; Tumbarski, Yulian; Yanakieva, Velichka; Tsoneva, Slava; Nikolova, Stoyanka

doi:10.3390/ph16121660

Cited by 22 publications

(2 citation statements)

References 76 publications

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“…On the other hand, the compound that was used as the lead structure for the reinforcement learning was taken from the synthesized Ni complex. The dimension of the grid box is 80 × 60 × 60 in three directions, such a grid box is large enough to contain the docking pocket of interest 32 , 33 . The distance between the grid points is 0.375 Å.…”

Section: Methodsmentioning

confidence: 99%

Utilizing Ni(II) complex for metal drug-gel particles in cervical cancer treatment and designing novel drugs through machine learning methods

Jiang,

Wu,

Liu

et al. 2024

Sci Rep

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In the present study, a novel coordination polymer (CP) based on Ni(II), namely, [Ni(L)(D-CAM)(H2O)]n (1) (H2D-CAM = (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid and L = 3,6-bis(benzimidazol-1-yl)pyridazine), has been produced successfully through applying a mixed ligand synthesis method via reacting Ni(NO3)2·6H2O with 3,6-bis(benzimidazol-1-yl)pyridazine ligand in the presence of a carboxylic acid co-ligand. Hyaluronic acid (HA) and carboxymethyl chitosan (CMCS) are representatives of natural polysaccharides and have good biocompatibility. Based on the chemical synthesis method, HA/CMCS hydrogel was successfully prepared. SEM showed that the lyophilized gel presented a typical macroporous structure with three-dimensional connected pores, which had unique advantages as a drug carrier. Using paclitaxel as a drug model, we further synthesized a novel paclitaxel-loaded metal gel and evaluated its therapeutic effect on cervical cancer. Finally, novel drugs from the reinforcement learning simulation are suggested to have better biological activity against ovarian cancer due to low affinity energy and stronger interaction strength towards the protein receptor.

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Section: Methodsmentioning

confidence: 99%

Utilizing Ni(II) complex for metal drug-gel particles in cervical cancer treatment and designing novel drugs through machine learning methods

Jiang,

Wu,

Liu

et al. 2024

Sci Rep

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“…The anti-inflammatory activity was determined by anti-denaturation assay, according to Milusheva et al [37,38]. The reaction mixture contained 0.5 mL of a 5% aqueous solution of human albumin (Albunorm 20, Octapharma (IP) SPRL, 1070 Anderlecht, Belgium) and 0.2 mL of the tested Passiflora extracts, which were diluted in DMSO at a concentration of 10 mg mL −1 .…”

Section: Inhibition Of Albumin Denaturationmentioning

confidence: 99%

Metabolic Profile of Leaves and Pulp of Passiflora caerulea L. (Bulgaria) and Their Biological Activities

Gerasimova,

Nikolova,

Petkova

et al. 2024

Plants

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At present, there are no data in the scientific literature on studies aimed at characterizing Passiflora caerulea L. growing in Bulgaria. The present study aimed to investigate the metabolic profile and elemental composition of the leaves and pulp of this Passiflora, as well as to evaluate the antioxidant, antimicrobial and anti-inflammatory activities of its leaf and pulp extracts. The results showed that the pulp predominantly contained the essential amino acid histidine (7.81 mg g−1), while it was absent in the leaves, with the highest concentration being tryptophan (8.30 mg g−1). Of the fatty acids, palmitoleic acid predominated both in the pulp and in the leaves. A major sterol component was β-sitosterol. Fructose (7.50%) was the predominant sugar in the pulp, while for the leaves, it was glucose—1.51%. Seven elements were identified: sodium, potassium, iron, magnesium, manganese, copper and zinc. The highest concentrations of K and Mg were in the pulp (23,946 mg kg−1 and 1890 mg kg−1) and leaves (36,179 mg kg−1 and 5064 mg kg−1). According to the DPPH, FRAP and CUPRAC methods, the highest values for antioxidant activity were found in 70% ethanolic extracts of the leaves, while for the ABTS method, the highest value was found in 50% ethanolic extracts. In the pulp, for all four methods, the highest values were determined at 50% ethanolic extracts. Regarding the antibacterial activity, the 50% ethanolic leaf extracts were more effective against the Gram-positive bacteria. At the same time, the 70% ethanolic leaf extract was more effective against Gram-negative bacteria such as Salmonella enteritidis ATCC 13076. The leaf extracts exhibited higher anti-inflammatory activity than the extracts prepared from the pulp. The obtained results revealed that P. caerulea is a plant that can be successfully applied as an active ingredient in various nutritional supplements or cosmetic products.

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Design, preparation, physicochemical characterization, structural conformational, biological evaluation, and DNA interaction for some new benzimidazole complexes

Abu‐Dief,

El‐Khatib,

El‐Dabea

et al. 2024

Applied Organom Chemis

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New Cu (II), VO (II), Ag(I), and Pd (II)‐[BIP = 4,6‐dimethyl‐N‐(octahydro‐2H‐benzimidazol‐2‐ylidene)pyrimidin‐2‐amine] chelates have been synthesized by the reaction of BIP ligand resulting from the condensation of benzimidazole guanidine as well as acetylacetone with tested metal salts. The suggested structures of prepared compounds have been investigated spectroscopically through (FT‐IR, NMR, Mass spectra, and UV–Vis spectra), CHN analyses, conductivity, pH stability as well asmagnetic moment measurements. TGA studies have been also studied to govern the thermal behavior, stability, and decomposition of the metal chelates. Structural study of the tested chelates exposed their chemical transformation of ligand by chelation with the studied metals. The studies predicted a hexa‐coordinated geometry for the Cu and VO chelates, whereas tetra‐coordinated for the Ag and Pd chelates. DFT/B3LYP theoretical method was applied to obtain optimized geometry, molecular electrostatic potential (MEP) surface, and HOMO‐LUMO analysis for tested compounds. For estimation in the in vitro study, all the tested compounds have been screened for their biochemical features, including antioxidant, antimicrobial performances, and cytotoxicity. The antioxidant performance of prepared molecules has been studied by DPPH study and all the tested chelates displayed close antioxidant performance against the standard drugs. The cytotoxic analysis of tested compounds has been estimated against various cancer cell lines: (Hep‐G2, HCT‐116, and MCF‐7) using MTT analysis as well as calculated the cell viability for the corresponding human cell. The DNA binding capability for the tested compounds has been evaluated through absorption spectroscopic, viscosity estimation, as well as gel electrophoresis. The outcomes displayed a good binding tendency through the binding constant from 1.01 × 104 to 1.99 × 104 M−1 in the order BIPCu> BIPVO > BIPPd > BIPAg, respectively. Finally, docking simulation results indicated that the complexes were located in the intercalation site of DNA and confirmed experimental findings.

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Novel Anthranilic Acid Hybrids—An Alternative Weapon against Inflammatory Diseases

Cited by 22 publications

References 76 publications

Utilizing Ni(II) complex for metal drug-gel particles in cervical cancer treatment and designing novel drugs through machine learning methods

Utilizing Ni(II) complex for metal drug-gel particles in cervical cancer treatment and designing novel drugs through machine learning methods

Metabolic Profile of Leaves and Pulp of Passiflora caerulea L. (Bulgaria) and Their Biological Activities

Design, preparation, physicochemical characterization, structural conformational, biological evaluation, and DNA interaction for some new benzimidazole complexes

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