Properties Of Bioactive Compounds Research Articles

Adaptive Space Search-based Molecular Evolution Optimization Algorithm.

In drug development process, a significant portion of budget and research time are dedicated to the lead compound optimization procedure in order to identify potential drugs. This procedure focuses on enhancing the pharmacological and bioactive properties of compounds by optimizing their local substructures. However, due to the vast and discrete chemical structure space and the unpredictable element combinations within this space, the optimization process is inherently complex. Various structure enumeration-based combinatorial optimization methods have shown certain advantages. However, they still have limitations. Those methods fail to consider the differences between molecules and struggle to explore the unknown outer search space. In this study, we propose an adaptive space search-based molecular evolution optimization algorithm (ASSMOEA). It consists of three key modules: construction of molecule-specific search space, molecular evolutionary optimization, and adaptive expansion of molecule-specific search space. Specifically, we design a fragment similarity tree in molecule-specific search space, and apply a dynamic mutation strategy in this space to guide molecular optimization. Then we utilize an encoder-encoder structure to adaptively expand the space. Those three modules are circled iteratively to optimize molecules. Our experiments demonstrate that ASSMOEA outperforms existing methods in terms of molecular optimization. It not only enhances the efficiency of the molecular optimization process, but also exhibits a robust ability to search for correct solutions. The code is freely available on the web at https://github.com/bbbbb-b/MEOAFST. Supplementary data are available at Bioinformatics online.

Chemical profiles and pharmacological insights of Anisomeles indica Kuntze: An experimental chemico-biological interaction

Anisomeles indica (L.) Kuntze is an ethnomedicinally important plant that has long been used in traditional medicine to treat a variety of ailments, including dyspepsia, abdominal pain, colic, allergies, inflammation, and rheumatic arthritis. However, the scientific framework underlying these medicinal properties is not well known. This study aimed to investigate the antidepressive, antidiarrheal, thrombolytic, and anti-inflammatory potential of a methanol extract of A. indica (MeOH-AI). The potential bioactive compounds in the MeOH-AI were identified using gas chromatography-mass spectrometry (GC-MS), and antidepressant activities were evaluated using the tail suspension test (TST) and forced swim test (FST). Antidiarrheal effects were also assayed in castor oil-induced diarrhea and gastrointestinal motility studies. The anti-inflammatory activities were explored by examining the effects on protein inhibition and denaturation in heat- and hypotonic solution-induced hemolysis assays. The thrombolytic activity was evaluated using the clot lysis test in human blood. BIOVIA and Schrödinger Maestro (v11.1) were applied for docking analysis to determine binding interactions, and the absorption, distribution, metabolisms, excretion/toxicity (ADME/T) properties of bioactive compounds were explored using a web-based method. The GC-MS analysis of MeOH-AI revealed the presence of several bioactive compounds. MeOH-AI administration resulted in significant (p < 0.01) reductions in the immobility times for both the FST and TST compared with those in the control group. MeOH-AI also induced significant (p < 0.01) reductions in castor oil-induced diarrhea severity and gastrointestinal motility in a mouse model. In addition, the in vitro anti-inflammatory and thrombolytic activity studies produced remarkable responses. The binding assay showed that 4-dehydroxy-N-(4,5-methylenedioxy-2-nitrobenzylidene) tyramine interacts favorably with monoamine oxidase and serotonin and M3 muscarinic acetylcholine receptors, displaying good pharmacokinetic properties, which may mediate the effects of MeOH-AI on depression and diarrhea. Overall, the research findings indicated that MeOH-AI has significant antidepressant, antidiarrheal, and anti-inflammatory effects and may represent an alternative source of novel therapeutic factors.

Drying Kinetics, Rehydration Behavior and Morphological Properties of Pre-blanched Thai Basil Leaves

Drying characteristics of Thai basil (Ocimum basilicum var. thyrsiflorum) leaves during hot-air drying process at different air temperatures with and without blanching pre-treatment were in-depth investigated. The increase in drying rate and decrease in drying time were observed at elevated temperatures. Blanching further reduced the drying time by approximately 19–45%, indicating to potentially reduce energy consumption of drying. The Midilli et al’s model demonstrated the best fitting to describe the process. The effective moisture diffusivity was computed as 0.21–1.55×10–10 m2s–1. The lower activation energy of water removal during drying for blanched leaves indicated that blanching had more energy efficiency at lower temperatures. Blanching also improved rehydration capacity of dried leaves. Microstructural analysis revealed that blanching caused the collapse of the cellular structure and shrinkage and hence reduced the resistance of moisture removal leading to a higher drying rate. The findings in this work prove that blanching can be a potential approach to save consumed energy, reduce drying time, and hence potentially preserve beneficial properties of bioactive compounds in agricultural plants.

Research of physicochemical properties and antioxidant activity of beetroots as affected by vacuum microwave drying conditions

The object of research is the beetroots, dried by vacuum microwave drying at different conditions. Physicochemical properties and antioxidant activity of beetroots were studied using vacuum microwave drying at different microwave power (500, 1000, and 1500 W), vacuum degree (–0.05, –0.07, and –0.09 MPa) and sample thickness (2, 4, and 6 mm). A colorimeter was used to evaluate the color quality of beetroots. Colorimetric methods were used to determinate contents of betalain, ascorbic acid and total flavonoid, and antioxidant activity (ferric reducing antioxidant power assay) of beetroots. Results showed that the drying time decreased with increasing microwave power and vacuum degree, while increased significantly with the increase of sample thickness. The lightness (L*) of dried beetroots was higher than that of fresh beetroots. The values of redness (a*) increased with the increase of vacuum degree. The values of yellowness (b*) increased with the growth of vacuum degree and microwave power, while reduced as the sample thickness added. The total color difference (∆E) of dried beetroots reduced with increasing vacuum degree, and displayed the lowest value (5.95) at a vacuum degree of –0.09 MPa as compared to fresh beetroots. The content of betacyanin, betaxanthin and ascorbic acid displayed a declining tendency with the growth of microwave power, while increased with the increase of vacuum degree. And the total flavonoid content of beetroots illustrated a decreasing tendency with the increase of vacuum degree, microwave power and sample thickness. The ferric reducing antioxidant power (FRAP) of dried beetroots decreased significantly with the increase of microwave power, and showed the highest value (14.70 mg trolox equivalents/g) at a microwave power of 500 W. The most favorable conditions for vacuum microwave drying of beetroots were microwave power of 500 W, vacuum degree of –0.09 MPa and sample thickness of 2 mm. It leads to better physicochemical properties of bioactive compounds and higher antioxidant activity of dried beetroots. The dried beetroots can be used as functional foods and value-added food products.

Isolation and Partial Purification of Bioactive Compounds from Sponge Sigmadocia Fibulata (Schmidt) Collected from West Coast of Mumbai, India

The sponge Sigmadocia fibulata (Schmidt) was collected during low tides from West Coast of Mumbai. Crude extract was obtained by taking 10 gram of sponge samples in10 ml of methanol. The preparative TLC (Thin Layer Chromatography) was performed by using Toluene: Ethyl acetate: Diethylamine (7:2:1) (v/v). The isolated compounds were subjected to GC-MS and FTIR analysis. The structural properties of bio active compounds were determined.From the structural determination it was confirmed that S. fibulata contains bioactive compounds as Triacontanoic acid, methyl ester – (Skin irritant), Hexadecanoic acid, 2- hydroxyl- (hydroxymethyl) ethyl ester – (Fatty acid, Metabolite and Irritant) and 2-Nitro-1, 3-bis-oclyoxy-benzene, (A natural product found in Neolitsea daibuensis. It has a role as a plant metabolite and an algal metabolite). From their biological properties it was confirmed that S. fibulata contains bio active compound, which has biomedical and pharmaceutical properties.

Allelopathic Potential of Compounds in Selected Crops

Allelochemicals cause yield differences under various ecosystems worldwide. Studies were conducted at the National Crops Resources Research Institute, Namulonge, Uganda during 2016 to investigate allelopathic properties of bioactive compounds in upland rice (NERICA 1), Desmodium uncinatum, Zea mays (LONGE 6H) and Mucuna pruriens root leachates. Studies involved pot screening, equal compartment agar experiments, germination tests and growth of potted plants. Results under the pot study indicated that maize, rice and mucuna leachates significantly (P &amp;le; 0.05), reduced root lengths (49%-63%), plant heights (48%-66%) and biomass (63%-75%) for Ageratum conyzoides, Bidens pilosa and Gallinsoga. parviflora weeds. G. parviflora root growth was reduced (20%-41%) and stem growth declined (19%-42%) when maize, rice and mucuna leachates were applied in the equal compartment agar study. Increased leachate concentrations (25%-75%) significantly (P &amp;le; 0.05), increased the mean germination time (0.4-2.8 days) for mucuna, desmodium, rice and maize as seed germination indices (SGI) were reduced (1.3%-49%). Potted mucuna, maize and desmodium reduced (1.3%-49%) rice root length. Potting mucuna with maize reduced (32%) mucuna leaf width while desmodium growth parameters were reduced (49%-64%) when potted with maize and mucuna. Potting maize with mucuna or desmodium increased the maize leaf length (18%) and SGI (25). Application of higher (25%-75%) rice/maize leachate concentrations similarly increased the maize leaf length (31%) and SGI (119). Allelopathic properties affect seed germination, crop growth and development, and characterise ecosystems age structures. Strategic management of crops under allelopathic ecosystems is critical.

Medicinal Properties of Bioactive Compounds Identified in the acetone extract of Daedalea elegans using Gas Chromatography – Mass Spectrometry

Medicinal Properties of Bioactive Compounds Identified in the acetone extract of Daedalea elegans using Gas Chromatography – Mass Spectrometry

Antimicrobial properties of bioactive compounds isolated from epidermal mucus in two Ray species (Dasyatis marmorata and Gymnura altavela)

Purpose: To investigate the occurrence and antimicrobial effects of certain biochemical compounds in the epidermal mucus secretions of fish and to demonstrate their potential for biomedical applications.Methods: Crude, aqueous, and acidic epidermal mucus samples were collected from live ray specimens. Gas chromatography and gas chromatography-mass spectrometry (GC/MS) analyses were performed to identify the biochemical compounds present in the mucus. The spectrophotometric broth microdilution method was used to determine the antibacterial and antifungal properties of the mucus extracts. The bacterial strains, Bacillus subtilis, Escherichia coli, Enterococcus faecalis, and Klebsiella pneumonia, were used for the tests, as well as the fungal strains, Candida parapsilosis and Candida albicans.Results: GC/MS analysis revealed the presence of several hydrocarbon-derived compounds in the epidermal mucus of the two ray species. The acidic extract of G. altavela epidermal mucus produced a high MIC value, indicating the highest inhibitory effect of 8.64 μL against E. coli, while the crude extract of G. altavela epidermal mucus (41.13 μL against B. subtilis) was the least effective.&#x0D; Conclusion: Epidermal mucus extracts, especially when acid-based, displays strong antimicrobial properties against all the tested pathogens. These findings suggest the plants possess some potential for the development of novel antimicrobial components for applications in medicine.&#x0D; Keywords: Fish, Ray species, Epidermal mucus, Antimicrobial properties, Bioactive compounds

In Silico Pharmacokinetics and Molecular Docking of Novel Bioactive Compound (11-Methoxy-2-Methyltridecane-4-Ol) for Inhibiting Carbohydrates Hydrolyzing Enzyme

The inhibition of α-amylase enzyme involved in the digestion of carbohydrates can significantly reduce the post prandial hyperglycemia. The bioactive compound, 11-methoxy-2-methyltridecane- 4-ol extracted from marine macro alga Gracilaria edulis showed antidiabetic activity. In the present study, in silico pharmacokinetics and molecular interaction properties of novel bioactive compound 11-methoxy-2-methyltridecane-4-ol for inhibiting α-amylase enzyme activity in carbohydrates digestion is investigated and reported. The ADME properties of bioactive compound and its absorption such as solubility (-3.151 log mol/L), Caco-2 permeability (1.73 log papp in 10-6 cm/s), intestinal absorption (96.127 % absorbed), skin permeability (- 1.986 log kp) were evaluated. The distribution of VDss (-0.025 log L/kg), fraction unbound (0.322 FU), BBB permeability (0.556 BB), CNS permeability (-1.763 PS) and the Excretion of Total clearance is 0.67 log ml/min/kg were also proved. The metabolic changes of the compound 11-methoxy-2-methyltridecane-4-ol are not observed. With regard to toxicity of the bioactive compound observed concentration is as follows, in max tolerated dose of 0.343 log mg/kg/day, in oral rat acute toxicity (LD50) 1.526 mol/kg, in oral rat chronic toxicity (LOAEL) (1.972 log mg/kg_bw/day), in T. pyriformis toxicity, 1.839 log ug/L, and in minnow toxicity 1.225 log nM. The molecular interaction properties predicted on the biding energy of this compound is -5.56 kcal/ mol and the H-bond interaction of the amino acid is ILE 235 and HIS 101. Results of present study on 11-methoxy-2-methyltridecane-4-ol suggest that it could be developed as a novel α-amylase inhibitor for the treatment of diabetes mellitus.

The Cytotoxic and Apoptosis Effects of Chloroform Extracts of Auricularia auricula on Cervical Cancer Cells

Auricularia auricula is an edible mushroom cultivated in Indonesia that has been known to have potential properties of bioactive compounds than can be used for medicinal purpose. This study aimed to examine the cytotoxic and apoptosis effect of chloroform extract of A. auricula on cervical cancer cells in vitro. The research design was in vitro experimental research. Cytotoxic tests was using an MTT [3-(4,5-dimetiltiazol-2-yl)-2.5-diphenyl tertrazolium bromide] assay and apoptosis test was using double staining method. Test of bioactive compounds was carried out using GCMS. Cytotoxic effect were analyzed by linear regression and apoptosis test was analyzed descriptively. Chloroform extract of mycelium A. auricula showed the best results with IC50 = 264.87 µg/ml. An important finding obtained after the double staining process was that chloroform extract of A. auricula can induce HeLa cells death by apoptosis. GCMS test results showed that the extracts containing limonene and piperidinone which are the anticancer bioactive compounds. In conclusion, the chloroform extracts of A. auricula has the potential to inhibit the growth of cervical cancer cells. The benefit of this study are expected to provide information about the anticancer potential of extract of A. auricula against cervical cancer cells, thus contributing to the development of alternative anticancer treatments from natural product.

Antidiabetic potential of corn silk extracts, identification and drug properties of bioactive compounds

Antidiabetic potential of corn silk extracts, identification and drug properties of bioactive compounds

The Pocket-4-Life project, bioavailability and beneficial properties of the bioactive compounds of espresso coffee and cocoa-based confectionery containing coffee: study protocol for a randomized cross-over trial

BackgroundCoffee is an important source of bioactive compounds, including caffeine, phenolic compounds (mainly chlorogenic acids), trigonelline, and diterpenes. Several studies have highlighted the preventive effects of coffee consumption on major cardiometabolic diseases, but the impact of coffee dosage on markers of cardiometabolic risk is not well understood. Moreover, the pool of coffee-derived circulating metabolites and the contribution of each metabolite to disease prevention still need to be evaluated in real-life settings. The aim of this study will be to define the bioavailability and beneficial properties of coffee bioactive compounds on the basis of different levels of consumption, by using an innovative experimental design. The contribution of cocoa-based products containing coffee to the pool of circulating metabolites and their putative bioactivity will also be investigated.MethodsA three-arm, crossover, randomized trial will be conducted. Twenty-one volunteers will be randomly assigned to consume three treatments in a random order for 1 month: 1 cup of espresso coffee/day, 3 cups of espresso coffee/day, and 1 cup of espresso coffee plus 2 cocoa-based products containing coffee twice per day. The last day of each treatment, blood and urine samples will be collected at specific time points, up to 24 hours following the consumption of the first product. At the end of each treatment the same protocol will be repeated, switching the allocation group. Besides the bioavailability of the coffee/cocoa bioactive compounds, the effect of the coffee/cocoa consumption on several cardiometabolic risk factors (anthropometric measures, blood pressure, inflammatory markers, trimethylamine N-oxide, nitric oxide, blood lipids, fasting indices of glucose/insulin metabolism, DNA damage, eicosanoids, and nutri-metabolomics) will be investigated.DiscussionResults will provide information on the bioavailability of the main groups of phytochemicals in coffee and on their modulation by the level of consumption. Findings will also show the circulating metabolites and their bioactivity when coffee consumption is substituted with the intake of cocoa-based products containing coffee. Finally, the effect of different levels of 1-month coffee consumption on cardiometabolic risk factors will be elucidated, likely providing additional insights on the role of coffee in the protection against chronic diseases.Trial registrationClinicalTrials.gov, NCT03166540. Registered on May 21, 2017.

Application of nanotechnology in dairy industry-prospects and challenges-A Review

Nanotechnology applications are expected to revolutionize the food and dairy sector in the near future. The potential applications include superior processing techniques, improved food contact materials, better quality, shelf-life and safety of dairy and food products and novel packaging materials with better mechanical, barrier and antimicrobial properties. Recently, there is considerable interest in exploring the potential of nanotechnology in encapsulation and delivery of biologically active substances, enhancing the flavour and other sensory characteristics of foods and introduce antibacterial nanostructures into packaging. By reducing particle size, nanotechnology can improve the properties of bioactive compounds like delivery properties, solubility and absorption through cells. However, consumer concerns about the potential negative effects of nanotechnology-based delivery systems on human health will need to be addressed before commercial exploitation. This article comprehensively reviews theapplication of nanotechnology in dairy and food-related systems, focusing specifically on applications which are most likely to be commercialized in the immediate future

Bioactive compounds obtained by immobilisation of serine protease inhibitors

We studied the preparation of polymeric membranes formed of solutions of poly-3-hydroxybutyrate (PHB) and chitosan. PHB-chitosan biomaterials from these solutions may form various structural types, which determine the biodegradation time, the adsorption capacity, and the kinetics of the release of medicinal compounds from polymeric matrices. Serine protease inhibitors, SERPINs, continue to catch the attention of researchers because of their increasing use in medicine and biotechnology. We prepared and studied the properties of biodegradable materials containing the serine protease inhibitors, soybean trypsin inhibitor (abbreviate STI) and watermelon ( Citrullus vulgaris ) trypsin inhibitor (abbreviate CVTI). Properties of bioactive compounds bound to the above mentioned polymers (proteolytic activity, porous structure, and increased hydrophilicity) account for their use in two key medical applications: drug delivery and tissue engineering.

Quantitative bioactive compounds assessment and their relative contribution to the antioxidant capacity of commercial orange juices

AbstractDietary recommendations for healthy eating include the consumption of fruit juices whose health effects are ascribed, in part, to carotenoids, phenolic compounds and vitamin C. These bioactive compounds have been implicated in the reduction of degenerative human diseases, mainly due to their antioxidant potential. Orange juice is characterized by substantial accumulation (apart from ascorbic acid) of flavonoids and carotenoids. Commercial orange juice is the main human dietary source of antioxidant compounds in developed countries. The qualitative and quantitative determination of carotenoid, flavonoid and vitamin C content of Spanish commercial orange juices was achieved by high‐performance liquid chromatography. The health‐related properties of bioactive compounds contained in orange juice are based on their antioxidant activity. The antioxidant capacity of these juices was assessed by 2,2‐diphenyl‐1‐picrylhydrazyl stable radical scavenging and was compared with a freshly squeezed orange juice. In addition, the relative contribution of the different bioactive compounds to the antioxidant activity of orange juices was calculated. Total vitamin C was found to be the major contributor to the antioxidant potential of the orange juices studied, followed by flavonoid and carotenoid compounds. Ascorbic acid, total vitamin C and β‐cryptoxanthin content correlated positively with the free‐radical scavenging parameters. No significant differences, in terms of antioxidant capacity, were found between commercial traditional pasteurized orange juices and freshly squeezed orange juice. Copyright © 2003 Society of Chemical Industry