HPLC Analysis and Molecular Docking Study of Myoporum serratum Seeds Extract with Its Bioactivity against Pathogenic Microorganisms and Cancer Cell Lines.

Natural constituents have been utilized to avoid humanity from various diseases, such as microbial infection and cancer, over several decades due to bioactive compounds. Myoporum serratum seeds extract (MSSE) was formulated via HPLC for flavonoid and phenolic analysis. Moreover, antimicrobial via well diffusion method, antioxidant via 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging method, anticancer activities against HepG-2 cells (human hepatocellular cancer cell line), and MCF-7 cells (human breast cancer cell line), and molecular docking of the main detected flavonoid and phenolic compounds with the cancer cells were performed. The phenolic acids, including cinnamic acid (12.75 µg/mL), salicylic acid (7.14 µg/mL), and ferulic (0.97 µg/mL), while luteolin represents the main detected flavonoid with a concentration of 10.74 µg/mL, followed by apegenin 8.87 µg/mL were identified in MSSE. Staphylococcus aureus, Bacillus subtilis, Proteus vulgaris, and Candida albicans were inhibited by MSSE with 24.33, 26.33, 20.67, and 18.33 mm of inhibition zone, respectively. MSSE exhibited a low inhibition zone of 12.67 mm against Escherichia coli while showing no inhibitory activity against Aspergillus fumigatus. The values of MIC ranged from 26.58 to 136.33 µg/mL for all tested microorganisms. MBC/MIC index and cidal properties were attributed to MSSE for all tested microorganisms except E. coli. MSSE demonstrated anti-biofilm 81.25 and 50.45% of S. aureus and E. coli, respectively. IC50 of the antioxidant activity of MSSE was 120.11 µg/mL. HepG-2 and MCF-7 cell proliferation were inhibited with IC50 140.77 ± 3.86 µg/mL and 184.04 µg/mL, respectively. Via Molecular docking study, luteolin and cinnamic acid have inhibitory action against HepG-2 and MCF-7 cells, supporting the tremendous anticancer of MSSE.

Efficient Oxidation of Cyclohexane over Bulk Nickel Oxide under Mild Conditions.

Nickel oxide powder was prepared by simple calcination of nickel nitrate hexahydrate at 500 °C for 5 h and used as a catalyst for the oxidation of cyclohexane to produce the cyclohexanone and cyclohexanol-KA oil. Molecular oxygen (O2), hydrogen peroxide (H2O2), t-butyl hydrogen peroxide (TBHP) and meta-chloroperoxybenzoic acid (m-CPBA) were evaluated as oxidizing agents under different conditions. m-CPBA exhibited higher catalytic activity compared to other oxidants. Using 1.5 equivalent of m-CPBA as an oxygen donor agent for 24 h at 70 °C, in acetonitrile as a solvent, NiO powder showed exceptional catalytic activity for the oxidation of cyclohexane to produce KA oil. Compared to different catalytic systems reported in the literature, for the first time, about 85% of cyclohexane was converted to products, with 99% KA oil selectivity, including around 87% and 13% selectivity toward cyclohexanone and cyclohexanol, respectively. The reusability of NiO catalyst was also investigated. During four successive cycles, the conversion of cyclohexane and the selectivity toward cyclohexanone were decreased progressively to 63% and 60%, respectively, while the selectivity toward cyclohexanol was increased gradually to 40%.

Metal transformation as a strategy for bacterial detoxification of heavy metals.

Microorganisms can modify the chemical and physical characters of metals leading to an alteration in their speciation, mobility, and toxicity. Aqueous heavy metals solutions (Hg, Cd, Pb, Ag, Cu, and Zn) were treated with the volatile metabolic products (VMPs) of Escherichia coli Z3 for 24 h using aerobic bioreactor. The effect of the metals treated with VMPs in comparison to the untreated metals on the growth of E. coli S1 and Staphylococcus aureus S2 (local isolates) was examined. Moreover, the toxic properties of the treated and untreated metals were monitored using minimum inhibitory concentration assay. A marked reduction of the treated metals toxicity was recorded in comparison to the untreated metals. Scanning electron microscopy and energy dispersive X-ray analysis revealed the formation of metal particles in the treated metal solutions. In addition to heavy metals at variable ratios, these particles consisted of carbon, oxygen, sulfur, nitrogen elements. The inhibition of metal toxicity was attributed to the existence of ammonia, hydrogen sulfide, and carbon dioxide in the VMPs of E. coli Z3 culture that might responsible for the transformation of soluble metal ions into metal complexes. This study clarified the capability of E. coli Z3 for indirect detoxification of heavy metals via the immobilization of metal ions into biologically unavailable species.

Supported polytertiary amines: highly efficient and selective SO2 adsorbents.

Tertiary amine containing poly(propyleneimine) second (G2) and third (G3) generation dendrimers as well as polyethyleneimine (PEI) were developed for the selective removal of SO2. N-Alkylation of primary and secondary amines into tertiary amines was confirmed by FTIR and NMR analysis. Such modified polyamines were impregnated on two nanoporous supports, namely, SBA-15PL silica with platelet morphology and ethanol-extracted pore-expanded MCM-41 (PME) composite. In the presence of 0.1% SO2/N2 at 23 °C, the uptake of modified PEI, G2, and G3 supported on SBA-15PL was 2.07, 2.35, and 1.71 mmol/g, respectively; corresponding to SO2/N ratios of 0.22, 0.4, and 0.3. Under the same conditions, the SO2 adsorption capacity of PME-supported modified PEI and G3 was significantly higher, reaching 4.68 and 4.34 mmol/g, corresponding to SO2/N ratios of 0.41 and 0.82, respectively. The working SO2 adsorption capacity decreased with increasing temperature, reflecting the exothermic nature of the process. The adsorption capacity of these materials was enhanced dramatically in the presence of humidity in the gas mixture. FTIR data before SO2 adsorption and after adsorption and regeneration did not indicate any change in the materials. Nonetheless, the SO2 working capacity decreased in consecutive adsorption/regeneration cycles due to evaporation of impregnated polyamines, rather than actual deactivation. FTIR and (13)C and (15)N CP-MAS NMR of fresh and SO2 adsorbed modified G3 on PME confirmed the formation of a complexation adduct.

Review green synthesis of silver nanoparticles by using plant extracts and their antimicrobial activity.

Interest in the biosynthesis of nanoparticles has increased in the last era by researchers. Nanoparticles have several applications in different fields like optoelectronics, magnetic devices, drug delivery, and sensors. Nanoparticle synthesis by green methods is safe for the environment and should be explored and encouraged popularly since various plants' have the high extent to form these nanoparticles. Worldwide, UV spectroscopy, X-ray diffraction, Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Dynamic Light Scattering (DLS), Atomic Force Microscopy (AFM) besides Fourier Transform Infrared Spectroscopy (FTIR) are used in many ways for characterize nanoparticles. The most advantageous use of AgNPs is their great attribution to be used as antimicrobial agents. Finally, concept of AgNPs synthesis is deserved to be the modern technical and medical concern. The current review shows a complete comprehensive and analytical survey of the biosynthesis of AgNPs with a particular focus on their activities as antimicrobials and the possible theories of their effect on the microbial cell and all influenced secondary metabolites.

Synthesis, Characterizations, and Quantum Chemical Investigations on Imidazo[1,2-a]pyrimidine-Schiff Base Derivative: (E)-2-Phenyl-N-(thiophen-2-ylmethylene)imidazo[1,2-a]pyrimidin-3-amine.

In this study, (E)-2-phenyl-N-(thiophen-2-ylmethylene)imidazo[1,2-a]pyrimidin-3-amine (3) is synthesized, and detailed spectral characterizations using 1H NMR, 13C NMR, mass, and Fourier transform infrared (FT-IR) spectroscopy were performed. The optimized geometry was computed using the density functional theory method at the B3LYP/6-311++G(d,p) basis set. The theoretical FT-IR and NMR (1H and 13C) analysis are agreed to validate the structural assignment made for (3). Frontier molecular orbitals, molecular electrostatic potential, Mulliken atomic charge, electron localization function, localized orbital locator, natural bond orbital, nonlinear optical, Fukui functions, and quantum theory of atoms in molecules analyses are undertaken and meticulously interpreted, providing profound insights into the molecular nature and behaviors. In addition, ADMET and drug-likeness studies were carried out and investigated. Furthermore, molecular docking and molecular dynamics simulations have been studied, indicating that this is an ideal molecule to develop as a potential vascular endothelial growth factor receptor-2 inhibitor.

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.

Various synthesis and biological evaluation of some tri -tetra-substituted imidazoles derivatives: A review.

The imidazole nucleus represents a significant group of heterocyclic molecules with diverse significance in the modern world due to its exploration potential and various pharmacological applications. The relevance of imidazole and its derivatives has gained popularity in recent years, especially in the production of commercial drugs and the treatment of various conditions. The imidazole nucleus is present in many natural compounds and widely distributed in essential amino acids, such as l-histidine, whose derivatives exhibit powerful pharmacological properties. In this review, we delve into the historical timeline and development of synthetic pathways for tri- and tetra-substituted imidazoles used in the renowned Radziszewski reaction. Furthermore, we explore various bacteriological applications documented in the literature, as well as current advances in preclinical approaches to imidazole-based drug discovery. Tri- or tetra-substituted imidazole derivatives show strong potential for new synthesis methods, such as reflux or microwave, as well as various biological activities.

Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π-π and halogen interactions.

The crystal packing of the title compound, C(24)H(18)Br(2)N(2)S(2), is rationalized using the PIXEL method, which allows a separation of the intermolecular interaction energy into Coulombic, polarization, dispersion and repulsion contributions. Infinite (101) molecular planes are formed through π-π stacking and other minor interactions, including a Br...S contact, with the σ hole of the Br atom pointing towards the S-atom lone pair. The title compound has crystallographically imposed twofold symmetry, with the twofold axis at the mid-point of the central C-C bond.

Elimination of toxic azo dye using a calcium alginate beads impregnated with NiO/activated carbon: Preparation, characterization and RSM optimization.

Nickel oxide nanoparticles supported activated carbon (AC-NiO) was fabricated using thermal activation. Then, AC-NiO composite was immobilized on alginate beads to obtain 3-dimensional network structure ALG@AC-NiO nanocomposite beads for catalytic reduction of Congo red (CR) dye. The resulting nanocomposite beads were identified by various physical techniques. The crystalline nature and dispersion of NiO nanoparticles was defined by the XRD and EDS techniques, respectively. ALG@AC-NiO beads have a Ni element content of 4.65 wt% with an average NiO particle diameter of 23 nm. The statistical approach mathematically describes the catalytic reduction of the CR dye as a function of the NaBH4 concentration, the catalyst dose and the concentration of the CR dye modeled by a BBD-RSM. According to the statistical modeling and the optimization process, the catalytic optimum conditions were obtained for NaBH4 concentration of 0.05 M, catalyst dose of 11 mg and CR dye concentration of 80 ppm who permit meet 99.67 % of CR dye conversion. The adjusted coefficient of determination (R2 = 0.9957) indicates that the considered model was quite suitable with a good correlation between the experiment and predicted.

Tail-approach based design, synthesis, and cytotoxic evaluation of novel disubstituted and trisubstituted 1,3-thiazole benzenesulfonamide derivatives with suggested carbonic anhydrase IX inhibition mechanism.

A novel series of 2,4,5- and 2,3,4-trisubstituted thiazole hybrids with 1,3,4-thiadiazolylbenzenesulfonamide was designed following the tail approach as possible hCAIX inhibitors. The key intermediate 1 was condensed with thiosemicarbazide 2a to give 1,3,4-thiadiazolylthiosemicarbazone 3, which upon hetero-cyclization with substituted α-haloketones and esters afforded 2,4,5-trisubstituted thiazole-1,3,4-thiadiazole conjugates 4-8. Furthermore, the trisubstituted thiazole-1,3,4-thiadiazole hybrids 12a-d were synthesized via the regioselective cyclization of 4-substituted-1,3,4-thiadiazolylthiosemicarbazones with phenacyl bromide. The cyclized 2,4-disubstituted thiazole 4 enhanced cytotoxicity by nine, four and two times against HepG-2, Caco2, and MCF-7, respectively. Moreover, the simple methyl substitution on the thiosemicarbazone terminus 9a improved the parent derivative 3 cytotoxicity by nine, fourteen, and six times against HepG-2, Caco2, and MCF-7, respectively. This astonishing cytotoxicity was elaborated with hCAIX molecular docking simulation of 4, 9a, and 12d demonstrating binding to zinc and its catalytic His94. Furthermore, molecular dynamic simulation 9a revealed stable hydrogen bonding with hCAIX with interaction energy of -61.07 kcal mol-1 and ΔGbinding MM-PBSA of -9.6 kcal mol-1.

Zinc nanoparticles encapsulated in porous biopolymer beads for reduction of water pollutants and antimicrobial activity.

This work focuses on the preparation of composite beads from alginate crosslinked with copper at several loading percent and also loaded with ZnNPs. Th obtained samples were applied as catalysts for the reduction of the organic polluants 4-NP, MB, OG, MO, and CR in simple and binary systems. XRD results and TEM images confirmed the presence of ZnNPs in the polymer matrix. XRF and TGA analysis showed that the percentage of the cross-linking agent significantly influences the content of ZnNPs as well as the thermal stability of the resulting material. The catalytic activity of the composite beads showed that the Cu(4 %)-ALG(ZnNPs) sample was the best catalyst for all pollutants. In the simple system, the recorded rate constants for MB, MO, 4-NP, OG, and CR were 0.0133 s-1, 0.0076 s-1, 0.005 s-1, 0.0042 s-1, 0.0036 s-1, respectively. The catalyst was more selective towards the cationic MB dye for binary systems. For antibacterial and antifungal applications, the different materials containing ZnNPs and their counterparts containing Zn2+ were found to be active across all bacterial strains (Gram positive and Gram negative) as well as fungi, and the Zn2+-containing composites in particular performed better across all bacteria and fungi.

Removal of crystal violet dye using a three-dimensional network of date pits powder/sodium alginate hydrogel beads: Experimental optimization and DFT calculation.

Biodegradable and very low-cost adsorbent beads were prepared from date pits powder (DP) and sodium alginate (SA). DP to SA ratios was varied (1/2, 1/4 and 1/6) and used to eliminate Crystal violet (CV) a cationic dye. Adsorbents were characterized by FTIR, SEM-EDS, UV-vis DR, TGA and the point of zero charge (pHPZC). The optimal composite beads SA@6DP show high adsorption capacities of 83.565 mg/g toward CV than SA@2DP and SA@4DP. The kinetics investigation showed that the adsorption is well described by the pseudo-second-order kinetic (R2 = 0.998). The thermodynamics and isotherms studies exhibit that the adsorption phenomenon for SA@6DP adsorbent is endothermic and significantly fitted with the Redlich-Peterson model. The experimental adsorption tests were optimized by the Box-Behnken design (BBD) which led to conclude the maximal CV removal efficiency achieved by SA@6DP was 99.873 % using [CV] = 50 mg/L, adsorbent mass = 20 mg and 48 h of contact time. The theoretical calculation proved that the CV molecules favor the mode of attack due to their electrophilic character and can accept the SA@6DP adsorbent electrons more easily to form an anti-bonding orbital. SA@6DP hydrogel beads are therefore an exceptional bio-adsorbent that offers excellent adsorption performance.

Role of virtual bronchoscopy in the evaluation of bronchial lesions.

BACKGROUND: Virtual bronchoscopy (VB) is a type of 3-dimensional reconstruction in which the observation point is placed within the airway to produce an endoscopiclike view. AIM: To evaluate the diagnostic role of VB in the diagnosis of tracheobronchial lesions, as compared to fiberoptic bronchoscopy (FOB). SUBJECTS: Fifty patients with tracheobronchial lesions were enrolled (30 patients with bronchogenic carcinomas and 20 patients with tracheobronchial inflammatory lesions). METHODS: The patients were examined using VB and FOB. Virtual bronchoscopic studies were calculated and reconstructed from cross-sectional images obtained from spiral computed tomographic examination of the chest. RESULTS: Virtual bronchoscopy provided an excellent overview of the trachea, main stem, and lobar bronchi up to the fourth order. The data obtained by VB and FOB (signs of tumor infiltration including endobronchial mass, stenosis, obstruction, and external indentations) were comparable. However, FOB had the advantage of giving direct cues to color, vascularity, and motility. It also detected early tumor infiltration by picking up subtle mucosal changes. Alternatively, VB was superior in bypassing any obstruction and therefore provided an excellent view distal to the obstructive lesions or stenotic segments. Virtual bronchoscopy also defined the optimum pathway for passing instruments into lesions beyond the field of view. CONCLUSIONS: Here, we compared the diagnostic capacities of both VB and FOB. The interventional and therapeutic ramifications of our findings await further investigations.

Double N-arylation reaction of polyhalogenated 4,4'-bipyridines. Expedious synthesis of functionalized 2,7-diazacarbazoles.

Unusual 2,7-diazacarbazoles were prepared in one step from readily available tetra-halogenated 4,4'-bipyridines by using a double N-arylation reaction in the presence of the Pd-XPhos catalyst system. Moderate to good yields were obtained in this site-selective Buchwald-Hartwig double amination. The functionalization of these tricyclic derivatives was performed by using Pd-catalyzed cross-coupling reactions such as the Stille and Suzuki couplings. Two compounds were analyzed by X-ray diffraction and show π-π stacking involving the diazacarbazole moieties and the phenyl rings of functionalized groups.

Evaluation of Stent Angioplasty in the Treatment of Arteriosclerotic Lesions of the Common Femoral Artery.

In many vascular segments, endovascular therapy is the treatment of choice for arteriosclerotic lesions. For the treatment of common femoral artery (CFA) lesions, surgical reconstruction is still considered the gold standard. The purpose of this study is to evaluate the safety and efficacy of stent angioplasty for the treatment of common femoral artery (CFA) lesions in a real-world population during a two-year follow up. This retrospective, single-center study includes 250 patients requiring treatment with stent angioplasty of CFA lesions. The primary end point was the target lesion revascularization (TLR) rate. Secondary end points were the overall procedural complication rate, the rate of ipsilateral CFA punctures during follow-up, changes in the Rutherford−Becker class (RBC) and ankle−brachial index (ABI), primary patency rates, amputation rate, time to and the type of TLR. A total of 236 interventions (94.4%) were successfully defined as a residual stenosis < 30%. Periinterventionally, there were 23 complications (9.1%), 3 of which had to be treated surgically. Median follow up was 21 months (average 19.2 ± 7.8). In total, 41 patients (16.4%) needed a TLR. The primary patency rate was 90.8%, 81.2% and 72% at 6, 12 and 24 months, respectively. ABI and RBC were significantly better at all time points compared to baseline. During follow up, seven amputations (three minor and four major) had to be performed. More than half of the patients (56.0%) were punctured at the stented CFA during the follow up. Multivariate logistic regression analysis showed continued nicotine use and coronary heart disease as predictors for TLR. Stent angioplasty for the treatment of CFA lesions is safe and effective. Further studies are needed to compare this endovascular option with surgical therapy.

Ecofriendly Synthesis of Biosynthesized Copper Nanoparticles with Starch-Based Nanocomposite: Antimicrobial, Antioxidant, and Anticancer Activities.

In recent years, polysaccharides-based nanocomposites have been used for biomedical applications. In the current study, a nanocomposite based on myco-synthesized copper nanoparticles (CuNPs) and starch was prepared. The prepared nanocomposite was fully characterized using UV-visible spectroscopy (UV-vis), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscope (SEM), energy-dispersive X-ray spectroscopy (EDX), mapping, transmission electron microscope (TEM), and dynamic light scattering (DLS). Results revealed that this nanocomposite is characterized by nano spherical shape ranged around 200 nm as well as doped with CuNPs with size about 9 nm. Antimicrobial, antioxidant, and anticancer activities of the prepared nanocomposite were evaluated. Results revealed that CuNPs-based nanocomposite exhibited outstanding antibacterial and antifungal activity toward Escherichia coli ATCC25922, Bacillus subtilis ATCC605, Candida albicans ATCC90028, Cryptococcus neoformance ATCC 14,116, Aspergillus niger RCMB 02,724, A. terreus RCMB 02,574, and A. fumigatus RCMB 02,568. Moreover, CuNPs-based nanocomposite has a strong antioxidant activity as compared to ascorbic acid, where IC50 was 18 µg/mL. Cytotoxicity test of CuNPs-based nanocomposite revealed that this nanocomposite is safe in use, where IC50 was 185.1 µg/mL. Furthermore, CuNPs-based nanocomposite exhibited potential anticancer activity against MCF7 cancerous cell line where IC50 was 62.8 µg/mL which was better than CuNPs alone. In conclusion, the prepared CuNPs with starch-based nanocomposite is promising for different biomedical applications as antimicrobial, antioxidant, and anticancer activities.

Catalytic Reduction of Dyes and Antibacterial Activity of AgNPs@Zn@Alginate Composite Aerogel Beads.

This work focuses on the preparation of aerogel composite beads based on Zn(II)-crosslinked alginate and loaded with different percentages of AgNPs using a simple approach. The obtained samples were evaluated in two different applications: the first application consists in their use as catalysts for the reduction of MB, MO, OG and CR dyes in a simple and binary system under the presence of NaBH4. For this, several parameters affecting the catalytic behavior of these catalysts have been investigated and discussed such as the catalyst mass, AgNPs content, dye nature, and the selectivity of the catalyst in a binary system. The second application concerns their antibacterial activities towards two Gram-negative bacteria Escherichia coli (ATCC 25922), and Pseudomonas aeruginosa (ATCC 27853), and a Gram-positive bacteria Staphylococcus aureus (ATCC 25923). The physico-chemical properties of different samples were characterized by XRD, FTIR, SEM/EDS, and TGA analysis. The obtained results confirmed the presence of AgNPs on a highly porous alginate structure. The dispersion of a high percentage of AgNPs leads to the formation of nanoparticles on the outer surface of the alginate which led to their leaching after the catalytic test, while the composite having a low percentage of AgNPs showed good results through all dyes without leaching of AgNPs. For the antibacterial application of the different samples, it was shown that a composite with a higher percentage of AgNPs was the most effective against all bacteria.

Molecular Docking and Efficacy of Aloe vera Gel Based on Chitosan Nanoparticles against Helicobacter pylori and Its Antioxidant and Anti-Inflammatory Activities.

The medicinal administration of Aloe vera gel has become promising in pharmaceutical and cosmetic applications particularly with the development of the nanotechnology concept. Nowadays, effective H. pylori treatment is a global problem; therefore, the development of natural products with nanopolymers such as chitosan nanoparticles (CSNPs) could represent a novel strategy for the treatment of gastric infection of H. pylori. HPLC analysis of A. vera gel indicated the presence of chlorogenic acid as the main constituent (1637.09 µg/mL) with other compounds pyrocatechol (1637.09 µg/mL), catechin (1552.92 µg/mL), naringenin (528.78 µg/mL), rutin (194.39 µg/mL), quercetin (295.25 µg/mL), and cinnamic acid (37.50 µg/mL). CSNPs and A. vera gel incorporated with CSNPs were examined via TEM, indicating mean sizes of 83.46 nm and 36.54 nm, respectively. FTIR spectra showed various and different functional groups in CSNPs, A. vera gel, and A. vera gel incorporated with CSNPs. Two strains of H. pylori were inhibited using A. vera gel with inhibition zones of 16 and 16.5 mm, while A. vera gel incorporated with CSNPs exhibited the highest inhibition zones of 28 and 30 nm with resistant and sensitive strains, respectively. The minimal inhibitory concentration (MIC) was 15.62 and 3.9 µg/mL, while the minimal bactericidal concentration (MBC) was 15.60 and 7.8 µg/mL with MBC/MIC 1 and 2 indexes using A. vera gel and A. vera gel incorporated with CSNPs, respectively, against the resistance strain. DPPH Scavenging (%) of the antioxidant activity exhibited an IC50 of 138.82 µg/mL using A.vera gel extract, and 81.7 µg/mL when A.vera gel was incorporated with CSNPs. A.vera gel incorporated with CSNPs enhanced the hemolysis inhibition (%) compared to using A.vera gel alone. Molecular docking studies through the interaction of chlorogenic acid and pyrocatechol as the main components of A. vera gel and CSNPs with the crystal structure of the H. pylori (4HI0) protein supported the results of anti-H. pylori activity.

Screening of Bioactive Compounds from Endophytic Marine-Derived Fungi in Saudi Arabia: Antimicrobial and Anticancer Potential.

Nowadays, endophytic fungi represent a rich source of biological active compounds. In the current study, twelve endophytic fungal species were isolated from Avicennia marina leaves. From the isolates, Aspergillus niger, Penicillium rubens and Alternaria alternata recorded the highest isolation frequency (80%), relative density (12.5%) and antimicrobial activity. The antimicrobial and anticancer activities of P. rubens were more effective than those of A. niger and A. alternata; therefore, its identification was confirmed via the ITS rRNA gene. Filtrate extracts of P. rubens, A. alternata and A. niger were analyzed using GC-MS and showed different detected constituents, such as acetic acid ethyl ester, N-(4,6-Dimethyl-2-pyrimidinyl)-4-(4-nitrobenzylideneamino) benzenesulfonamide, 1,2-benzenedicarboxylic acid, hexadecanoic acid and octadecanoic acid. Filtrate extract of P. rubens exhibited the presence of more compounds than A. alternata and A. niger. Bacillus subtilis, Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, Candida albicans and Aspergillus fumigatus were more inhibited by P. rubens extract than A. alternata or A. niger, with inhibition zones of 27.2 mm, 22.21 mm, 26.26 mm, 27.33 mm, 28.25 mm and 8.5 mm, respectively. We observed negligible cytotoxicity of P. rubens extract against normal cells of human lung fibroblasts (WI-38 cell line), unlike A. alternata and A. niger extracts. Proliferation of prostate cancer (PC-3) was inhibited using P. rubens extract, exhibiting mortality levels of 75.91% and 76.2% at 200 µg/mL and 400 µg/mL of the extract. Molecular docking studies against the crystal structures of C. albicans (6TZ6) and the cryo-EM structure of B. subtilis (7CKQ) showed significant interactions with benzenedicarboxylic acid and N-(4,6-dimethyl-2-pyrimidinyl)-4-(4-nitrobenzylideneamino) benzenesulfonamide as a constituent of P. rubens extract. N-(4,6-dimethyl-2-pyrimidinyl)-4-(4-nitrobenzylideneamino) benzenesulfonamide had the highest scores of −6.04905 kcal/mol and −6.590 kcal/mol towards (6tz6) and (7CKQ), respectively.