Journal of Applied Biosciences最新文献

{"title":"In Silico Ligand Docking Approaches to Characterise the Binding of Known Allosteric Modulators to the Glucagon-Like Peptide 1 Receptor and Prediction of ADME/Tox Properties","authors":"Chiemela S. Odoemelam, E. Hunter, J. Simms, Z. Ahmad, Ming‐Wei Chang, B. Percival, Ian H. Williams, M. Molinari, S. C. Kamerlin, P. Wilson","doi":"10.3390/applbiosci1020010","DOIUrl":"https://doi.org/10.3390/applbiosci1020010","url":null,"abstract":"The glucagon-like peptide 1 receptor (GLP-1R) is a member of the family (or class) B G-protein-coupled receptor (GPCR). The receptor is a regulator of insulin and a key target in treating Type 2 diabetes mellitus. In this investigation, computational chemistry techniques such as molecular docking were combined with in silico ADME/Tox predictions to determine the position and structure of the allosteric binding site, as well as to examine how the allosteric modulators bind to the binding site. In silico evaluation was used to evaluate the ADME/Tox properties of the allosteric modulators. The findings of the ligand docking studies suggest that the allosteric binding site is situated around the transmembrane (TM) domain TM 6 of the receptor in the active state. ADME/Tox characterisation of the allosteric modulators demonstrate that compounds 1–3 (2,6,7-trichloro-3-(trifluoromethyl)quinoxaline, 1-(5-(4-(tert-butyl)phenyl)-1,3,4-oxadiazol-2-yl)-6,6-dimethyl-3-(methylsulfonyl)-6,7-dihydrobenzo[c]thiophen-4(5H)-one, 2-((4-chlorophenyl)thio)-3-(trifluoromethyl)quinoxaline, respectively) complied with the traditional method of evaluating drug-likeness; Lipinski’s rule of 5. The allosteric modulator compound 4 (3-(8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl)phenyl cyclohexanecarboxylate) failed to comply with Lipinski’s rule of five as a result of having a logP value of over 5.6. Moreover, molecular docking studies provide insights into potential allosteric binding sites and possible interactions. Finally, the in silico ADME/Tox study results are described as relevant to developing a viable drug candidate.","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83697781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ruthenium Complexes, an Emerging Class of Leishmanicidal Drug Candidates","authors":"S. Braga","doi":"10.3390/applbiosci1020009","DOIUrl":"https://doi.org/10.3390/applbiosci1020009","url":null,"abstract":"This review addresses the search for activity enhancement of leishmanicidal organic compounds through their coordination chemistry with ruthenium. In an introduction to leishmaniasis, its clinical manifestations, geographical distribution, available forms of treatment, and challenges to disease management are presented. Ruthenium complexes, owing to their physico-chemical and biological properties, are introduced as a suitable molecular library from which to find alternatives to current medicines. The main sections of the review describe complexes reported in the literature, organised into two main groups: organometallics and inorganic complexes. The activity of the ruthenium complexes is presented compared with that of the ligands for a critical assessment of their utility in future clinical application.","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"40 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81432243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Progress in Plant Genome Sequencing","authors":"R. Henry","doi":"10.3390/applbiosci1020008","DOIUrl":"https://doi.org/10.3390/applbiosci1020008","url":null,"abstract":"The genome sequence of any organism is key to understanding the biology and utility of that organism. Plants have diverse, complex and sometimes very large nuclear genomes, mitochondrial genomes and much smaller and more highly conserved chloroplast genomes. Plant genome sequences underpin our understanding of plant biology and serve as a key platform for the genetic selection and improvement of crop plants to achieve food security. The development of technology that can capture large volumes of sequence data at low costs and with high accuracy has driven the acceleration of plant genome sequencing advancements. More recently, the development of long read sequencing technology has been a key advance for supporting the accurate sequencing and assembly of chromosome-level plant genomes. This review explored the progress in the sequencing and assembly of plant genomes and the outcomes of plant genome sequencing to date. The outcomes support the conservation of biodiversity, adaptations to climate change and improvements in the sustainability of agriculture, which support food and nutritional security.","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"41 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88400978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multifilm Mass Transfer and Time Constants for Mass Transfer in Food Digestion: Application to Gut-on-Chip Models","authors":"T. Langrish","doi":"10.3390/applbiosci1020007","DOIUrl":"https://doi.org/10.3390/applbiosci1020007","url":null,"abstract":"This review highlights the involvement of mass transfer in animal food-digestion processes. There may be several mass-transfer steps during the dissolution of food components, starting from the food itself, moving into the digestive juices, then moving through the walls of the gastrointestinal tract. These steps create a sequence of film resistances to mass transfer, where one film resistance often limits the overall mass-transfer process. Mass-transfer rates, mass-transfer coefficients, and the time scales and time constants for different parts of the food-digestion process are all interlinked, and the connections have been explained. In some parts of the food-digestion process, the time constants for the mass-transfer process are similar to the residence times for food digestion, emphasising the importance of mass transfer in these parts of food digestion, such as the duodenum. The mass-transfer and transport behaviour for in vivo human digestive systems and in vitro guts-on-a-chip may be very similar, suggesting that cells on the intestine walls, whether in vitro (guts-on-a-chip) or in vivo, may see similar transport behaviour for both nutrients towards the cells, and waste products away from them.","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81610103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Does Intestine Morphology Still Have Secrets to Reveal? A Proposal about the “Ghost” Layer of the Bowel","authors":"Francesco Cappello, D. Saguto, S. Burgio, L. Paladino, F. Bucchieri","doi":"10.3390/applbiosci1010006","DOIUrl":"https://doi.org/10.3390/applbiosci1010006","url":null,"abstract":"In this brief Opinion paper, the term “muco-microbiotic layer” is introduced to describe the innermost layer of the intestinal wall. This layer may contribute not only to the overall health of the bowel, but also to that of extraintestinal organs. Its constituents, in terms of soluble molecules and nanovesicles, need to be studied further. Moreover, one can hypothesize the existence of an analogous layer in other organs, such as the airways or some parts of the genital tracts. Further studies on it are needed.","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"36 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75129905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anti-Tumour Activities from Secondary Metabolites and Their Derivatives in Bryophytes: A Brief Review","authors":"P. Cianciullo, F. Cimmino, V. Maresca, S. Sorbo, P. Bontempo, A. Basile","doi":"10.3390/applbiosci1010005","DOIUrl":"https://doi.org/10.3390/applbiosci1010005","url":null,"abstract":"Bryophytes are a poorly studied group of land plants that have been used in traditional medicine as a multipurpose remedy for centuries. Due to their peculiar morphology and physiology, bryophytes synthesise a multitude of secondary metabolites with a wide range of nutraceutical and pharmaceutical activities. Research has highlighted that secondary metabolites in bryophytes can also act as antitumour agents. Several studies have shown that bryophyte extracts and pure metabolites are cytotoxic against many cancer cell lines. Interestingly, some of these molecules and their derivatives are capable of acting on a specific target in cancer cells. Some macrocyclic(bis)bibenzyls from bryophytes can inhibit P-glycoprotein, reverting multidrug resistant cancer cell phenotypes, induce depolymerization of tubulin, stimulate apoptotic pathways, and inhibit angiogenesis. This brief review aims to collect recent knowledge on secondary metabolites of bryophytes and their derivatives, which have demonstrated an interaction with different molecular processes in cancer cells.","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"45 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75282878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Expedient Access to Type II Kinase Inhibitor Chemotypes by Microwave-Assisted Suzuki Coupling","authors":"Lorenza Destro, Ross Van Melsen, A. Gobbi, Andrea Terzi, Matteo Genitoni, A. Zambon","doi":"10.3390/applbiosci1010004","DOIUrl":"https://doi.org/10.3390/applbiosci1010004","url":null,"abstract":"Functionalized pyrazole-urea scaffolds are a common type II chemotype for the inhibition of protein kinases (PKs), binding simultaneously into the ATP-binding pocket with an ATP bioisostere and into a vicinal allosteric pocket with a pyrazole group. Standard approaches to the scaffold require multi-step synthesis of the ATP bioisostere followed by phosgene or triphosgene-mediated coupling with the substituted pyrazole group. Here we report an expedient approach to the chemotype, characterized by an optimized MW-assisted Suzuki coupling on easily accessed bromo-phenyl pyrazole ureas. The new protocol allowed quick access a large library of target analogues covering a broad chemical space of putative protein kinases inhibitors (PKIs).","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86818541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Early Detection of Phototrophic Biofilms in the Polychrome Panel, El Castillo Cave, Spain","authors":"V. Jurado, J. Gonzalez-Pimentel, Á. Fernández-Cortés, Tamara Martin-Pozas, R. Ontañón, E. Palacio, B. Hermosin, S. Sánchez-Moral, C. Saiz-Jimenez","doi":"10.3390/applbiosci1010003","DOIUrl":"https://doi.org/10.3390/applbiosci1010003","url":null,"abstract":"European caves contain some of the world’s greatest Paleolithic paintings, and their conservation is at risk due to the use of artificial lighting. Both lighting and high CO2 promotes the growth of phototrophic organisms on walls, speleothems and ground sediments. In addition, the combined effect of increases in CO2, vapor concentration and temperature variations induced by visitors can directly affect the development of corrosion processes on the cave rock surfaces. An early detection of the occurrence of phototrophic biofilms on Paleolithic paintings is of the utmost importance, as well as knowing the microorganisms involved in the colonization of rocks and walls. Knowledge of the colonizing species and their ecology will allow the adoption of control measures. However, this is not always possible due to the limited amount of biomass available for molecular analyses. Here, we present an alternative approach to study faint green biofilms of Chlorophyta in the initial stage of colonization on the Polychrome Panel in El Castillo Cave, Cantabria, Spain. The study of the biofilms collected on the rock art panel and in the ground sediments revealed that the lighting of the cave promoted the development of the green algae Jenufa and Coccomyxa, as well as of complex prokaryotic and eukaryotic communities, including amoebae, their endoparasites and associated bacteria and fungi. The enrichment method used is proposed as a tool to overcome technical constraints in characterizing biofilms in the early stages, allowing a preliminary characterization before deciding for direct or indirect interventions in the cave.","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"94 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83569541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Physico-chemical characteristics of the biochars of Acacia sp, Bambusa sp, Eichchornia crassipes and Hymenocardia acida.","authors":"Alasca Lombolu Ekuya, Jeancy Ntuka Luta, Irene Kibal Mande, Paul Mafuka Mbe-Mpie","doi":"10.35759/jabs.170.2","DOIUrl":"https://doi.org/10.35759/jabs.170.2","url":null,"abstract":"ABSTRACT Objective: In order to promote the rational use of the various biochars in the sandy soils of Kinshasa, a study was carried out to evaluate some physicochemical parameters of four types of biochars (Acacia sp, Bambusa sp, Eichchornia crassipes and Hymenocardia acida). Methodology and results: four species of trees were used to make the biochars. These were analysed and the following parameters determined: cation exchange capacity, pH-water, nitrogen and total carbon, assimilable phosphorus, potassium, calcium and water retention capacity. With regard to the physico-chemical parameters analysed, the following conclusions were formulated; regarding pH, biochars from hardwoods (Acacia sp and Hymenocardia acida) showed an alkaline pH and those from less softwoods (Bambusa sp and Eichchornia crassipes) had neutral pH; the same results were found with the cation exchange capacity. All biochars used are generally rich in carbon and potassium content. On the other hand, nitrogen and exchangeable cation contents are low, except for the biochars of Acacias sp. The water retention capacity is very high on hardwood biochars than on those made from softer woods. Conclusion and application of the results: To amend sandy and acidic tropical soils with biochars require the following recommendations. - The use of biochars from hardwoods because they contain high concentrations of plants nutriments and have a good pH (8.1) that could play the essential role in neutralizing soil acidity. - Biochar should be ground to obtain a particle size of less than 2 mm for good retention of water and mineral elements. The smallest particles induce faster effects; however, their impact is often short-lived. Keywords: biochars, Acacia sp, Bambusa sp, Eichchornia crassipes and Hymenocardia acida. RÉSUMÉ Objectif : Dans le but de promouvoir l’utilisation rationnelle des différents biochars dans les sols sableux de Kinshasa, une étude a été menée pour évaluer certains paramètres physico-chimiques de quatre types des biochars (fabriqués à partir d’Acacia sp, Bambusa sp, Eichchornia crassipes et Hymenocardia acida) afin de préconiser ceux qui présentent les meilleurs caractéristiques. Méthodologie et résultats : quatre espèces d’arbres ont été utilisées pour fabriquer les biochars ; ces derniers ont été analysés et les paramètres suivants ont été déterminés : la capacité d’échange cationique, le pH-eau, les teneurs en azote et carbone total, phosphore assimilable, potassium, 17680 Ekuya et al., J. Appl. Biosci. Vol: 170, 2022 Physico-chemical characteristics of the biochars of Acacia sp, Bambusa sp, Eichchornia crassipes and Hymenocardia acida. calcium et la capacité de rétention d’eau. Au regard des paramètres physico-chimiques analysés, les conclusions ci-après ont été formulées ; concernant le pH, les biochars issus des bois durs (Acacia sp et Hymenocardia acida) ont présenté un pH alcalin et ceux de bois moins durs (Bambusa sp et Eichchornia crassipes) ont le pH presque ","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"66 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85282614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Applied Biosciences: Application of Biological Science and Technology","authors":"R. Henry","doi":"10.3390/applbiosci1010002","DOIUrl":"https://doi.org/10.3390/applbiosci1010002","url":null,"abstract":"The 21st century has been defined as the age of biology [...]","PeriodicalId":14998,"journal":{"name":"Journal of Applied Biosciences","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86275516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}