Bioactive Complexes Research Articles

“All-in-one” self-healing and injectable cationic guar gum hydrogel dressing functionalized by bioactive complexes composed of natural small molecules

Reducing the risk of wound infection is an urgent issue health priority. Antibacterial polysaccharide-based hydrogels have attracted great attention for infectious wounds, attributed to their safe antimicrobial performance and natural non-toxicity and biodegradability advantages. In this study, the “all-in-one” self-adaptive and injectable cationic guar gum (CG)-based polysaccharide hydrogels (FA-TOB/CG) loaded with bioactive complexes were developed for infectious wound healing. The constructed antioxidant and antibacterial ferulic acid (FA)-tobramycin (TOB) bioactive complexes (FA-TOB) were used as the cross-linking agent and introduced into the CG matrix to construct the FA-TOB/CG hydrogel with a three-dimensional porous structure. The sterilization rates of FA-TOB/CG hydrogel against S. aureus and E. coli reached 98 % and 80 % respectively. In addition, the FA-TOB/CG also exhibits enhanced antioxidant performances (DPPH: > 40 %; ABTS: > 90 %; ·OH: > 50 %). More importantly, FA-TOB/CG hydrogel also showed the ability to sustain the release of FA and TOB. These superiorities of the FA-TOB/CG hydrogel enabled it to provide a moist wound environment and promote wound healing by eliminating bacteria, modulating the local inflammatory response, and accelerating collagen deposition and vascular regeneration. Thus, this study may enlarge a new sight for developing multifunctional dressings by incorporating bioactive complexes into polysaccharide hydrogels for infected wounds.

Evaluation of the Biological Activity of Manna Exudate, from Fraxinus ornus L., and Its Potential Use as Hydrogel Formulation in Dermatology and Cosmetology.

Manna, a well-known herbal drug has multiple traditional and pharmaceutical uses and the entire composition, sugar derivatives and polyphenols, gives rise to a very interesting bioactive complex with versatile therapeutic and benefic properties such as antioxidant and anti-inflammatory activities. The aim of this research was to investigate a F. ornus manna extract loaded in a pectin hydrogel as a synergic vehicle to evaluate the potential use of the complex for cosmetic and dermatological applications. In particular, the study set out to disclose manna properties as a wound healing agent with antimicrobial and reparative activity on infected tissues. Moreover, considering the correlation between antioxidant activity and antiaging potential, the extract was investigated in regard to the anti-elastase activity and skin whitening potential. The total phenolic content of each extract was also determined and a safe profile by in vitro cytotoxicity studies was verified. The hydrogel complex, containing the manna extract and pectin as the gelling agent, exhibited suitable properties in terms of pH (from 5.50 to 6.80), rheological behavior and ability of preserving the antioxidant activity of the manna exudate (around 10%). All the peculiarities that make the pectin hydrogels ideal systems for skin disease, as wound dressings and for antiaging cosmetic formulations.

Recovery of bioactive complex from brown algae by alternative extraction approaches

Arctic brown algae are a valuable source of many bioactive compounds. The study presents an approach for obtaining a complex extract that combines the beneficial properties of all compounds instead of isolating narrow fractions, which is the focus of most seaweed processing technologies. The study examined the efficiency of conventional, ultrasonic, and microwave extraction with 40 % isopropanol as a non-conventional solvent. Ultrasonic pretreatment and swelling had a positive effect on the extraction of mannitol, pigments, and polyphenols. Microwave extraction resulted in extracts enriched with mannitol and polysaccharides. Strong positive correlations between radical scavenging, ferric reducing, and iron-chelating activities and the contents of pigments and polyphenols in the extracts were revealed. Thus, the proposed techniques, together with the specific solvent, show promise in replacing conventional solvents in plant biomass processing to obtain complex extracts. Due to their bioactive properties, they have promising potential for use in pharmaceuticals, veterinary medicine, and agriculture.

Synthesis of Silver Nanoparticles from Ganoderma Species and Their Activity against Multi Drug Resistant Pathogens.

The widespread and indiscriminate use of broad-spectrum antibiotics leads to microbial resistance, which causes major problems in the treatment of infectious diseases. However, advances in nanotechnology using mushrooms have opened up new domains for the synthesis and use of nanoparticles against multidrug-resistant pathogens. Mushooms have recently attracted attention and are exploited for food and medicinal purposes. The current study focuses on the molecular identification, characterization of biologically synthesized silver nanoparticles by X-ray diffraction (XRD) spectroscopy, Fourier Transform Infrared Spectroscopy (FTIR), UV-Vis spectroscopy and scanning electron microscopy (SEM) and antibacterial analysis of extract and silver nanoparticles (AgNPs) synthesis from Ganoderma resinaceum against multidrug resistant microbes. Accurate identification of mushrooms is key in utilizing them for the benefit of humans. However, morphological identification of mushrooms is time consuming, tedious and may be prone to error. Molecular techniques are quick and reliable tools that are useful in mushroom taxonomy. Blast results showed that G. resinaceum (GU451247) obtained from Pakistan was 97 % same to the recognized G. resinaceum (GU451247) obtained from China as well as G. resinaceum (GU451247) obtained from India. The antimicrobial potential of mushroom composite and AgNPs showed high efficacy against pathogenic Staphylococcus aureus (ZOI 23 mm) K. pneumonia (ZOI 20 mm), Pseudomonas aeruginosa (ZOI 24 mm) and E. fecalis and A. baumannii (ZOI 10 mm), and multidrug resistant (MDR) A. baumannii (ZOI 24 mm). XRD evaluation revealed the crystalline composition of synthesized NPs with diameter of 45 nm. UV-Vis spectroscopy obsorption peaked of 589 nm confirmed the presence of AgNPs. SEM results showed the cubic morphology of AgNPs. The FTIR analysis of NPs obtained from G. resinaceum containing C=O as well as (O=C-H) stretching revealed presence of hydrogen, carbonyl and amide groups. The synthesized extract and AgNPs showed promising minimum inhibitory concentration (MIC) at 2 mg concentration against the MDR strains. AgNPs are observed to be efficient as they need less quantities to prevent bacterial growth. In the view of challenges for developing antimicrobial NPs of variable shape and size by various other methods, tuning nanoparticles synthesized via mushrooms can be a wonderful approach to resolve existing hurdles.

Enhanced photocatalytic degradation of methylene blue and methyl orange using biogenic ZnO NPs synthesized via Vachellia nilotica (Babool) leaves extract

Biogenic zinc oxide (b-ZnO) NPs were synthesized via the leaf extract of Vachellia nilotica (Babool) due to their rich source of bioactive complexes, which have great potential as a reliable, sustainable, and eco-friendly system. Sharp peaks in the XRD pattern of b-ZnO NPs confirmed the hexagonal wurtzite crystal structure. The crystallite size, D, of b-ZnO, decreased from 22.22 nm to 10.13 nm, and the lattice strain (τ) increased from 5.22 × 10−3 to 11.47 × 10−3 as the material changed from synthetic to biogenic, respectively. The Eg of b-ZnO was observed to be 3.37 eV. The specific surface area, total pore volume and average pore diameter of ZnO and b-ZnO NPs were increased from 9.5 to 34 m2/g, 0.3536–0.3854 cm3/g, and 17.24–19.56 nm, respectively. The photocatalytic degradation of b-ZnO increased from 72% to 80% for MO dye, from 87% to 93% for MB dye and completely degraded MB within 2 h. This work presents an essential advancement towards achieving enhanced photocatalytic performance to reduce water pollutants using b-ZnO and will guide the use of biogenic nanomaterials for photocatalytic applications.

The influence of vitamin and mineral consumption on the course of coronavirus disease (COVID-19).

Aim: The study of the role of micronutrients in the prevention of the severe course of the coronavirus disease. Materials and Methods: In order to fulfill the task, there was conducted an analytical review of medical and biological publications in English in the electronic databases PubMed Medline of the US National Library of Medicine (NLM), Embase, Cochrane Database of Systematic Reviews for the period from 2015 to November 2023, where included 50 published articles, 28 preprints and 109 trials. In the course of the study, the bibliographic-semantic research method was used according to the "Preferred Reporting Elements for Systematic Reviews and Meta-Analyses" (PRISMA) protocol. According to this protocol, identified literary sources were sequentially analyzed by title, keywords, abstract and full text of articles. Based on the results of 16 searches, 2650 articles from PubMed, Cochrane Database of Systematic Reviews and Embase, 3162 articles from preprint servers and 237 trials were rejected. In the final article synthesis, we included 50 published articles, 28 preprints, and 109 trials. Conclusions: The most effective in preventing complications of the coronavirus disease are vitamins A, D, E, K, C, B3, B6, B9, B12 and such mineral substances as Mg, Se and Zn. The consumption of appropriate bioactive complexes and source products can be considered a clinically and economically effective strategy for the prevention of a severe course of the coronavirus disease.

Fortification of Emulsions Stabilized by an Authentic Bioactive Complex into a Complex Heterogeneous Food Matrix

The issues of proper nutrition safety and life quality improvement cover all segments of the food industry. The product development of a new format with added utility can solve the issues. The article aim is to develop and study the applicability of authentic bioactive complexes to stabilize and ensure the bioactive properties of a Pickering emulsion used for subsequent fortification into a food heterogeneous matrix. When producing stabilized Pickering emulsions, a man run the research of the spatial and molecular level of the fortifier bond formation with the feedstock components. The combined sample of bioactive substances included: brown algae polysaccharides (fucoidan and Alg-Na); sonochemically modified starch containing 50.8 % of the RS2 prebiotic; extracted phenolic substances of T. cordifolia extract (berberine alkaloid); zinc oxide ZnO as an antimicrobial component. An effective tool to minimize the factors limiting the fine-dispersed distribution, provided the properties preservation, is physical exposure based on the cavitation effects of low-frequency ultrasound. A man revealed the high stability of the systems (99.9 %) while adding 1.5 % micronized zinc oxide, at the viscosity of 342 MPa·sec and AOA of 92.9 % of the DPPH. During the production of stabilized Pickering emulsions using sonochemical ultrasound exposure, the dispersion of ZnO and the AOA of the berberine alkaloid has changed. When using T. cordifolia extract and zinc oxide as a part of two-component compositions for starch-based Pickering emulsions stabilization, there was an increase in the AOA values and the stability preservation of the obtained emulsions. The advantage of the sonochemically modified starch introduction for the Pickering emulsion stabilization is that during the modification process the amylose proportion in native starch increases, which is stable in the digestion processes in the thin part of the gastrointestinal tract and is fermented only in the thick section. The functional and technological properties of RS2, particularly, its emulsifying ability, provide the high stability of Pickering emulsions stabilized with starch composition (50.8 % RS2) and T. cordifolia (0.2 %).

Repurposing of monacolin K decorated BN nanoparticle on inhibition of HMG-CoA reductase: In silico approach

To identify a novel inhibitor of 3‑hydroxy-3-methyl-glutaryl-coenzyme A (HMG-CoA) reductase, the current perspective has shifted toward a B12N12 nanocage that also has cardioprotective properties. Therefore, this study identified the bioactive complexes derived from monacolin K and BN nanoparticle and determines their potential for inhibiting HMG-CoA reductase, hypolipidemic activity, and anti-apoptotic properties via molecular docking. A molecular docking study was conducted with the Auto Dock Vina software on a complex of monacolin K and the B12N12 fullerene using an in silico docking approach. The protein structures of selective HMG-COA reductase, as well as peroxisome proliferator-activated receptor-α (PPAR-α) and others, were obtained from Protein Data Bank (PDB). The binding affinity between key residues involved in the binding mode of the targets and selective complexes is identified via in silico molecular docking. A further evaluation of the ADMET properties of the selective complexes has also been carried out. B12N12 nanoparticles and monacolin K complex (A) showed higher inhibitory potential for HMG-CoA reductase than monacolin K alone. These complexes seemed to be selective to the PPAR-α and caspase3 domains. Meanwhile, complex B had the highest binding affinity to the active site of SGK, TNF- α, NF-Kβ and AMPK receptors. Furthermore, both complex A and B could inhibit inflammatory targets more efficiently. The selective B12N12 nanoparticles were assessed for their drug-likeness and ADMET analysis, confirming that the selective B12N12 nanoparticles met the Lipinski and drug-likeness criteria. It was revealed that B12N12 fullerene and monacolin K complexes have potential inhibitory HMG-COA reductase and anti-apoptotic properties, as well as activating PPAR-α and AMPK. Consequently, these cardioprotective effects lead to improved cardiovascular health.

Experience in using minoxidil product line for the treatment of stress-induced non scarring alopecia

Introduction. Sustained stress can promote the secretion of proinflammatory cytokines, such as INF-ɣ, which leads to inflammation and results in apoptosis, cell senescence, and disruption of hair growth cycles. It is important to know that a somatic disease itself can become a stress factor. In our case it is a hair loss, which provokes a reactive anxiety-depressive state (nosogenic reaction), often affected by predominant anxious fears for one's health.Aim. To study the efficacy and tolerability of the updated composition of ALERANA® 5% topical spray combined with ALERANA® Serum BIO active complex for hair growth containing minoxidil for the treatment of stress-induced nonscarring alopecia.Materials and methods. A study of ALERANA minoxidil products was conducted. All patients (50 people) underwent comprehensive clinical and laboratory examination and trichoscopic diagnosis. Signs of psycho-emotional distress were diagnosed in 56%, symptoms of autonomic disorders (palpitations, hot flushes, red dermographism, hyperhidrosis) in 21%, sleep disorders in 48%, change in appetite in 18%, muscle tension, spasms in 12%.Results. The amount of hair significantly increased during complex therapy. In the first 3 months of therapy, the average gain was 17%. The appearance of new hair in the parietal and temporal areas, as well as a decline in the number of single follicular units were also observed. ALERANA® spray is highly effective, well tolerated by patients and can be prescribed both as a monotherapy as well as in combination with systemic and local drugs.Conclusion. Identification of mental disorders in patients with chronic types of hair loss, such as alopecia areata and androgenetic alopecia, appears to be an important stage during examination of this group of dermatological patients. The condition for the choice of optimal therapy for a patient is rooted in understanding the pathogenetic factors and correction of possible causes of hair loss. The key to successful treatment of diffuse alopecia is a comprehensive, multifactorial and personalized approach.

Investigation of Bioactive Complexes of Chitosan and Green Coffee Bean or Artichoke Extracts.

The formation of water-insoluble complexes between chitosan (ChS) and caffeoylquinic acid (CQ) derivatives present in artichoke (AE) and green coffee bean (GCBE) extracts was investigated by the equilibrium adsorption method. The UPLC/HPLC analysis revealed that the phenolic compounds accounted for 8.1% and 74.6% of AE and GCBE respectively, and CQ derivatives were the predominant compounds. According to the applied Langmuir adsorption model, anionic compounds present in natural extracts were adsorbed onto the active centers of ChS, i.e., primary amino groups. The driving forces of adsorption were electrostatic interactions between cationic groups of ChS and anionic compounds of natural extracts. Chromatographic analysis revealed that not only CQ derivatives, but also other phenolic compounds of natural extracts were attached to ChS. The release of adsorbed compounds into different media as well as the bioactive properties of complexes were also studied. With the immobilization of bioactives onto ChS, increased and prolonged ABTS•+ radical scavenging activity and decreased antifungal activity against Fusarium graminearum and Botrytis cinerea were observed compared to those of ChS. The findings of the current study highlight that the adsorption approach could be used to successfully prepare water-insoluble complexes of ChS and components of natural extracts with prolonged antioxidant activity.

Applications of Flow Chemistry in Total Synthesis of Natural Products

Abstract: A vital driving force for chemists to discover novel synthetic protocols is the improvement of more effective synthetic technologies and sustainable methodologies. This is associated with the development of innovative research that stimulates the creative reevaluating of known conceptions. Currently, these robust methodologies, as well as green synthetic procedures, have been designed for the total synthesis of secondary metabolites. Flow chemistry and flow photochemistry have emerged as powerful tools to promote valuable transformations in the total synthesis of natural products as key step(s). Flow chemistry development offers many merits over a traditional batch format, namely a round-bottom flask. The advantages of this green tool comprise waste minimization, simple scale-up, reduction of reaction time, safety betterment as, well as energy and cost efficiency. Flow chemistry comprises a fascinating prospect for the synthesis of promising organic molecules and bioactive complex natural products as it represents a suitable modern synthetic technology for the improvement of sustainable chemistry. Continuous flow chemistry is an assembly of chemical processes carried out in continuous flowing streams. Compared to conventional organic synthesis, it is a process that strengthens technology and is superior in enhancing and scaling up synthesis, accurately controlling reaction rate, and providing the desired products with maximum yields. In the past and likely in the future natural products and their analogue will continue to deliver the stimulation for drug discovery and development programs. Total synthesis of natural products is very useful to synthesize natural products in the laboratory as many secondary metabolites are available in low quantities from their sources of origin. So, this review wishes to cover the brilliant applications of flow chemistry in the total synthesis of natural products in the field of novel technological advances.

Organotitanium Click Chemistry

The click chemistry of titanium exemplified by the “green” [3 + 2] cycloaddition of the [Ti-N3] moiety with nitriles RCN to form a tetrazole ligand, is currently limited in scope, but the future of this open and wide field is bright, full of promising new synthetic approaches discussed herein, for pharmacological and bio orthogonal applications. This prediction is based on emerging click reaction possibilities from newly prepared titanium azides (complex 6), to existing titanium azides, including the commercially available Ti(N3)4, Cp2Ti(N3)2, (iPrO)2Ti(N3)2, and their multiple derivatives, participating in cycloaddition, exchange and other reaction types with alkynes, alkenes, nitriles, and related click synthons. Most of the organotitanium click reactions show nearly quantitative yields, as in the reaction of Ti(OiPr)4 with (CH3)2SiN3. Structural, mechanistic, stereo control and other effects on reactivity are briefly discussed. The main emphasis in this review article is on recently discovered organotitanium complexes like 2-phenylindole titanium dichloride, easily modified by insertion reactions of small molecules like CO2, SO2 or even RN3, serving as springboards of a new era in organotitanium click chemistry, by the original syntheses of non-toxic, potentially bioactive complexes.

Новые подходы в создании функциональных продуктов питания на основе использования нетрадиционных региональных ресурсов и технологий

Purpose. Development of a scientifically based concept for the formation of an adaptive approach to the meat and dairy socially significant production based on deep processing of regional livestock raw materials, innovative ways to increase the shelf life of products, reduce the cost of technologies, increase consumer properties of products, incl. specialized and functional, are presented. Materials and Methods. The work is based on the convergence of experiments in vitro, in vivo, in silico. All studies were carried out on advanced equipment using modern methods of chromatography, mass spectrometry, voltammetry, physicochemical and biotechnological methods. Discussion. Minor components of animal raw materials can be effective in the treatment and prevention of lot diseases. Peptides with low molecular weight obtained from bovine lactoferrin have a more significant effect on gastric mucosa protection than native bovine lactoferrin in the same concentration. Using of angiogenin isolated from dairy raw materials, or serum concentrates enriched with angiogenin have a great social and practical importance. A complex of proteinoids obtained from collagen-containing raw materials, including animal skin processing waste, as a result of deep processing, can be widely used in the compounds of various food products: jellies, sausages, chopped meat semi-finished products, etc. Improving the safety of meat quality indicators when stored in a chilled state is possible using the case of its preliminary treatment of following antiseptic solutions: magnetized and electroactivated solution – catholyte; concentrate of mineral salts obtained after electrodialysis of whey. Meat treated with these solutions is more juicy compared with control. Its emulsifying ability is more high (on average 10%), which is important in sausage production. It make possible to exclude the using of third-party chemical reagents, and to increase the physical and chemical indices of meat quality and prevent its microbial contamination. In order to produce food products with the specified quality characteristics, it is proposed to use non-traditional vegetable raw materials with regional and price availability as part of the compositions. As a result of the performed research, enriched meat and dairy products of a new generation with established physiological effects were created. The developed formulations aimed to enrich food with natural bioactive complexes of macro- and micronutrients obtained from regional plant raw materials, secondary raw materials from food manufacturers, as well as to improve the organoleptics of the finished product, reduce its allergenicity, extend shelf life, reduce the cost of technologies, increasing the availability of socially significant products, including special-purpose products, for all segments of the population, consumer attractiveness due to functional properties (various types of yoghurts, cheese and cheese products, boiled and smoked sausages, jellies, chopped meat semi-finished products). Conclusion. As a result of the research, innovative technologies have been developed for the effective processing of livestock raw materials and the creation of new types of socially significant meat and dairy products through the use of non-traditional regional sources of biologically active components.

Half-Sandwich Type Platinum-Group Metal Complexes of C-Glucosaminyl Azines: Synthesis and Antineoplastic and Antimicrobial Activities

While platinum-based compounds such as cisplatin form the backbone of chemotherapy, the use of these compounds is limited by resistance and toxicity, driving the development of novel complexes with cytostatic properties. In this study, we synthesized a set of half-sandwich complexes of platinum-group metal ions (Ru(II), Os(II), Ir(III) and Rh(III)) with an N,N-bidentate ligand comprising a C-glucosaminyl group and a heterocycle, such as pyridine, pyridazine, pyrimidine, pyrazine or quinoline. The sugar-containing ligands themselves are unknown compounds and were obtained by nucleophilic additions of lithiated heterocycles to O-perbenzylated 2-nitro-glucal. Reduction of the adducts and, where necessary, subsequent protecting group manipulations furnished the above C-glucosaminyl heterocycles in their O-perbenzylated, O-perbenzoylated and O-unprotected forms. The derived complexes were tested on A2780 ovarian cancer cells. Pyridine, pyrazine and pyridazine-containing complexes proved to be cytostatic and cytotoxic on A2780 cells, while pyrimidine and quinoline derivatives were inactive. The best complexes contained pyridine as the heterocycle. The metal ion with polyhapto arene/arenyl moiety also impacted on the biological activity of the complexes. Ruthenium complexes with p-cymene and iridium complexes with Cp* had the best performance in ovarian cancer cells, followed by osmium complexes with p-cymene and rhodium complexes with Cp*. Finally, the chemical nature of the protective groups on the hydroxyl groups of the carbohydrate moiety were also key determinants of bioactivity; in particular, O-benzyl groups were superior to O-benzoyl groups. The IC50 values of the complexes were in the low micromolar range, and, importantly, the complexes were less active against primary, untransformed human dermal fibroblasts; however, the anticipated therapeutic window is narrow. The bioactive complexes exerted cytostasis on a set of carcinomas such as cell models of glioblastoma, as well as breast and pancreatic cancers. Furthermore, the same complexes exhibited bacteriostatic properties against multiresistant Gram-positive Staphylococcus aureus and Enterococcus clinical isolates in the low micromolar range.

Antibacterial properties of cotton fabric coated with cellulose nanofibers conjugated with pomegranate nanoparticles

In this study, we coated a cotton fabric with a bioactive complex composed of cellulose nanofibers and gold nanoparticles synthesized with pomegranate peel extract (CNF + AuNPPomegranate), to improve its functional properties and produce an antibacterial fabric. The physicochemical properties of the CNF + AuNPPomegranate complex were analyzed through Transmission Electron Microscopy, Fourier-Transform Infrared Spectroscopy, and Inductively Coupled Plasma Mass Spectrometry. The coated fabric was characterized through Atomic Force Microscopy, Scanning Electron Microscopy, and Energy-Dispersive X-ray Spectroscopy and had its antibacterial action tested against Staphylococcus aureus, Escherichia coli, and Enterococcus faecalis. The CNF + AuNPPomegranate complex was found to have fatty acids, phenols, tannins, and esters in its composition and was able to adhere to the cotton fabric, giving a rougher texture to its surface. The cotton fabric impregnated with CNF + AuNPPomegranate preserved the antibacterial properties of the pomegranate extract and AuNPs. Thus, the application of this nanocomposite in the textile and health industries is feasible.

Bioactives Promiscuity of Mucin: Insight from Multi-Spectroscopic, Thermodynamic, and Molecular Dynamic Simulation Analyses.

Mucosal drug delivery plays an increasing role in the clinical setting owing to mucin's advantageous biochemical and pharmacological properties. However, how this transport system recognizes different substrates remains unclear. In this study, we explore the mechanism of bioactive (quercetin and berberine) promiscuity of mucin using various spectroscopic techniques and molecular dynamics simulations. The UV-visible spectroscopy results and the decreased fluorescence intensity of mucin in the presence of the bioactive compounds via a static quenching mechanism confirmed ground-state complex formation between the bioactives and mucin. The binding constants (Kb) were evaluated at different temperatures to afford Kb values of ∼104 Lmol-1, demonstrating the moderate and reasonable affinity of the bioactives for mucin, yielding greater diffusion into the tissues. Thermodynamic analysis and molecular dynamics (MD) simulations demonstrate that mucin-bioactive complex formation occurs primarily because of electrostatic/ionic interactions, while hydrophobic interactions were also crucial in stabilizing the complex. Far-UV circular dichroism spectroscopy showed that bioactive binding induced secondary structural changes in mucin. Sitemap and MD simulation indicated the principal binding site of mucin for the bioactives. This study also provides insight into the bioactives promiscuity of mucin in the presence of a crowded environment, which is relevant to the biological activity of mucin in vivo. An in vitro drug release study revealed that crowding assisted drug release in an enhanced burst manner compared with that in a dilute buffer system. This work thus provides fresh insight into drug absorption and distribution in the native cellular environment and helps direct new drug design and use in pharmaceutical and pharmacological fields.

Indian medicinal plants are effective in the treatment and management of COVID-19

Indian medicinal plants are referred to as the “nectar of life” owing to their phytochemicals and bioactive complexes that are beneficial in treating diseases. Coronavirus disease 2019 (COVID-19) is a global health issue without any proper medication. The indigenous plants of India can be exploited to control the precise signs of SARS-CoV-2. The Ministry of AYUSH (Ayurveda, Yoga and Naturopathy, Unani, Siddha, and Homeopathy) has advised routine usage of medicinal plants for COVID-19. Medicinal plants like Zingiber officinalis, Azadirachta indica, Ocimum sanctum, Nigella sativa, Withania somnifera, Curcuma longa, Piper nigrum, Allium sativum, Tinospora cordifolia, etc. have immunity-boosting, antiviral, antibacterial, antioxidant and anti-inflammatory actions that can suppress and treat symptoms of COVID-19. In vitro, in vivo as well as in silico validation, these phytochemicals can help us to manage and treat COVID-19 disease. This integration of traditional knowledge in the prophylaxis of corona infection and current skills validating it for the development of precise and powerful therapeutic approaches will more efficiently resolve different clinical aspects of COVID-19. The review focuses on both traditional and emergent methods to prevent and treat COVID-19 with various Indian medicinal plants along with their phytochemicals.

Exploring the antioxidant, antimicrobial, cytotoxic and biothermodynamic properties of novel morpholine derivative bioactive Mn(ii), Co(ii) and Ni(ii) complexes - combined experimental and theoretical measurements towards DNA/BSA/SARS-CoV-2 3CLPro.

A novel class of bioactive complexes (1-3) [MII(L)2(bpy)], where, L = 2-(4-morpholinobenzylideneamino)phenol, bpy = 2,2'-bipyridine, MII = Mn (1), Co (2) or Ni (3), were assigned to octahedral geometry based on analytical and spectral measurements. Gel electrophoresis showed that complex (2) demonstrated significant DNA cleavage activity compared to the other complexes under the action of oxidation agent (H2O2). The DNA binding constant properties measured by various techniques were in the following sequence: (2) > (3) > (1) > (HL), which suggests that the complexes might intercalate DNA, a possibility that is also supported by their biothermodynamic characteristics. The binding constant results for BSA from electronic absorption and fluorometric titrations demonstrate that complex (2) exhibits the highest binding effectiveness among them all, which means that all the compounds could interact with BSA through a static approach, additionally supported by FRET measurements. DFT and docking calculations were employed to realize the electronic structure, reactivity, and interaction capability of all substances with DNA, BSA, and the SARS-CoV-2 main protease. These binding energies fell within the ranges -7.7 to -8.5, -8.2 to -10.1 and -6.7 to -9.3 kcal mol-1, respectively. The higher reactivity of the complexes than the ligand is supported by FMO theory. The in vitro antibacterial, cytotoxicity, and radical scavenging characteristics revealed that complexes (2-3) have better biological efficacy than the others. The cytotoxicity and binding properties also show good correlation with the partition coefficient (log P), which is encouraging because all of the experimental findings are closely correlated with the theoretical measurements.

Visible Light-promoted Synthesis of Bioactive N, N-heterocycles

Abstract:Heterocycles are a valuable type of structural motifs which occupy a major space in the area of medicinal, pharmaceutical, and bioactive natural product chemistry as well as synthetic organic chemistry. Most frequently, nitrogen heterocycles represent a highly significant type of compounds that are extensively employed in agrochemistry, materials science, and synthesis of bioactive complex molecules and it also has a profound role in modern drug design. Among N-heterocycles, bioactive N, N-heterocycles play a crucial role in the drug discovery and development process. Benzimidazoles, oxadiazoles, pyrazoles, pyrazolines, pyridazines, pyrimidines, thiadiazoles, triazoles, etc. are important classes of N, N-heterocycles due to their significant physiological and biological activities as well as versatile synthetic utility. For example, compounds containing an oxadiazole core such as phidianidines A and B display cytotoxicity. Zibotentan including 1,3,4-oxadiazole and pyrazine skeletons was accepted for the treatment of prostate cancer by the FDA, and cefozopran (SCE-2787) comprising 1,2,4-thiadiazole core is a powerful commercial antibiotic. So, there is continuing considerable attention to the improvement of efficient, convenient, and eco-friendly synthetic protocols for the formation of pharmaceutically relevant N,N-heterocycles. In this context, visible light-assisted synthesis of bioactive N,N-heterocycles has a great impact on sustainable development as it constitutes a clean, renewable, and abundant energy source, as well as its encouraging application in industry. Hence, this review aims to deal with the understanding of the visible light-promoted synthesis of bioactive N,N-heterocycles and further stimulate the development of more new relevant strategies.

Magnetic carbon–based nanocomposite decorated with palladium complex for co-delivery of DOX/pCRISPR

Hybrid inorganic/organic compounds opened up the window of opportunities to a wide variety of fields. The carbon-based nanocomposite (Fe3O4/MWCNT-COOH/Extract/PdL@DOX/p-CRISPR/Extract) have been prepared using tangerine and egg white extract as a second layer of nanocomposites. Then, doxorubicin (DOX) and PdC16H10N4O3 (PdL) were added to the mixture. Based on the previous studies, L (carboxamide-based ligand) has a potent desire for connecting and then blocking the HER-2, and σ2 (tumor's overexpressed receptors) and PdL could enhance the sustainability of the DOX by hydrogen bonding and π-π interaction. The effect of biotin on site-specific delivery has been investigated by utilizing two different types of extracts that naturally has a different amount of biotin. Based on this study's results, settling natural extracts (tangerine and egg white), bioactive complexes, and Fe3O4 on the functionalized-MWCNT can strengthen the nanocarrier's stability in the biological matrix, make more active porosity, and control the internalization to the cells for drug/gene delivery. The nanocarrier has revealed 29.1% ± 1.5% GFP positive transfection efficiency. Also, MTT assay (HEK-293, MCF-7 and PC-12) and antibacterial activity and in vivo testing (H&E and AST:ALT analysis) have been screened and showed promising results.