scholarly journals Leish-ExP: a database of exclusive proteins from Leishmania parasite

2020 ◽  
Author(s):  
Aneesha Das ◽  
Nupur Biswas ◽  
Saikat Chakrabarti
Keyword(s):  
Drug Development ◽  
Complex Disease ◽  
Relevant Information ◽  
Comparative Sequence Analysis ◽  
Specific Gene ◽  
Whole Genome ◽  
Patient Identification ◽  
Mortality And Morbidity ◽  
Wide Range ◽  
Targeted Drug

AbstractLeishmaniasis is a complex disease caused by different species of genus Leishmania, which affects millions of people spanning over 88 countries causing extensive mortality and morbidity. Leishmaniasis exists in three clinical forms; cutaneous, mucocutaneous and visceral. Anti-leishmanial therapy is one of the challenging fields due to the presence of wide range of Leishmania species and host response against the pathogenic infection. Clinical survey reveals toxicity of drugs and trial compounds causing death among patients and predominant resistance to different class of antimonials among the leishmaniasis patient. Identification of appropriate target protein is a primary and important phase of drug development and Leishmania is a suitable system for targeted drug development as it branched out quite early from the higher eukaryotes like human. With the advancement of genomic era and availability of whole genome sequences of Leishmania species, relevant information on their respective genes and proteins are now easily extracted. Hence, in the current study, to aid the targeted drug therapy, an exhaustive whole genome scale comparative sequence analysis was performed to identify genes/proteins exclusive to Leishmania. Subsequently, further filtration was employed to identify the individual Leishmania species specific gene/proteins. Among such proteins, a considerable number was found to have no recognizable structure and functions. Hence, efforts were taken to characterize these Leishmania exclusive gene/proteins via providing additional sequence, structure, localization and functional information. All the information about each of these Leishmania exclusive gene/proteins from five different Leishmania species has been systemically categorized and represented in the form a user-friendly database called Leish-ExP, which is freely available at http://www.hpppi.iicb.res.in/Leish-ex.

scholarly journals A Review on the Antimicrobial Activity of Propolis and its Synergy with Other Antimicrobial Compounds

2019 ◽  
Vol 4 (5) ◽  
Keyword(s):  
Antimicrobial Activity ◽  
Natural Products ◽  
Drug Development ◽  
Broad Spectrum ◽  
Potential Application ◽  
Drug Resistant ◽  
Antimicrobial Compounds ◽  
Mortality And Morbidity ◽  
Wide Range ◽  
New Drug Development

The alarming increase in the development of drug resistant microbes and the decrease in the efficacy of numerous antibiotics have led to the rise in patient mortality and morbidity affecting various fields of medicine. To combat this development and or the improvement of drugs are paramount. Natural products have long been utilized in the treatment of diseases showing broad spectrum of activity against a wide range of pathogens. In this study, the potential application of propolis to combat drug resistant microbes is reviewed, highlighting the presence and diversity of bioactive compounds with focus on its antimicrobial activity against a number of drug resistant microbes and its synergistic properties with other antimicrobial compounds. It is hoped that this study would enable researchers to continue to analyse propolis compounds and its interactions with other antimicrobial compounds which ultimately paves the way for new drug development.

Extending the Applicability of the ANI Deep Learning Molecular Potential to Sulfur and Halogens

2020 ◽  
Author(s):  
Christian Devereux ◽  
Justin Smith ◽  
Kate Davis ◽  
Kipton Barros ◽  
Roman Zubatyuk ◽  
...  
Keyword(s):  
Drug Development ◽  
Autonomous Vehicles ◽  
Potential Energy Surfaces ◽  
Organic Molecules ◽  
Chemical Elements ◽  
Molecular Potential ◽  
Wide Range ◽  
Energy Surfaces ◽  
New Applications ◽  
Physical Phenomena

<p>Machine learning (ML) methods have become powerful, predictive tools in a wide range of applications, such as facial recognition and autonomous vehicles. In the sciences, computational chemists and physicists have been using ML for the prediction of physical phenomena, such as atomistic potential energy surfaces and reaction pathways. Transferable ML potentials, such as ANI-1x, have been developed with the goal of accurately simulating organic molecules containing the chemical elements H, C, N, and O. Here we provide an extension of the ANI-1x model. The new model, dubbed ANI-2x, is trained to three additional chemical elements: S, F, and Cl. Additionally, ANI-2x underwent torsional refinement training to better predict molecular torsion profiles. These new features open a wide range of new applications within organic chemistry and drug development. These seven elements (H, C, N, O, F, Cl, S) make up ~90% of drug like molecules. To show that these additions do not sacrifice accuracy, we have tested this model across a range of organic molecules and applications, including the COMP6 benchmark, dihedral rotations, conformer scoring, and non-bonded interactions. ANI-2x is shown to accurately predict molecular energies compared to DFT with a ~10<sup>6</sup> factor speedup and a negligible slowdown compared to ANI-1x. The resulting model is a valuable tool for drug development that can potentially replace both quantum calculations and classical force fields for myriad applications.</p>

Application of the Innovative and Non-Invasive Technique, Molecular Music Therapy (MMT), Bio-Frequency Therapy, for the Treatment of a Wide Range of Disorders and Pathologies, with Consequent Verification of Molecular Parameters by Using Bi-Digital O-Ring Test (BDORT)

2020 ◽  
Vol 44 (3) ◽  
pp. 177-189
Author(s):  
Momir Dunjic ◽  
Stefano Turini ◽  
Dejan Krstic ◽  
Katarina Dunjic ◽  
Marija Dunjic ◽  
...  
Keyword(s):  
Amino Acid ◽  
Music Therapy ◽  
Amino Acid Sequences ◽  
Sirtuin 1 ◽  
Ring Test ◽  
Invasive Technique ◽  
Specific Gene ◽  
Radiofrequency Therapy ◽  
Wide Range ◽  
Clinical Pictures

Radiofrequency therapy is an unconventional method, already applied for some time, with numerous results in numerous clinical pictures. Our group has developed a software, later called SONGENPROT-SOLARIS, capable of directly converting nucleotide sequences (DNA and/or RNA) and amino acid sequences (polypeptides and proteins) into musical sequences, based on mathematic matrices, designed by the French physicist and musician Joel Sternheimer, which allows to associate a musical note with a nucleotide or an amino acid. Innovation in our software is that, in the algorithm that defines it, a variant is directly implemented that allows the reproduction of sounds, phase-shifted by 30 Hz, between one ear and another reproducing the phenomenon of Binaural Tones, capable of induce a specific brain activity and also the release of particles called solitons. Thanks to this software we have developed a technique called MMT (Molecular Music Therapy) and currently, we are in the phase of applying the technique on a cohort of 91 patients, with a high spectrum of clinical pictures, examining the same, using the technique Bi-Digital-ORing-Test (BDORT), before and after treatment with MMT. Aim of project is to stimulate the expression of a specific gene (the same genetic sequence that the patient listens to, translated into music), only through the use of sound sequences. We have concentrated our attention on three main molecules: Sirtuin-1, Telomers and TP-53. The results obtained with BDORT, after treatment with MMT, showed a significant increase in the values of the three molecules, on all the examined patients, demonstrating the operative efficacy of the technique and the its applicability to numerous diseases. In order to confirm the data obtained by BDORT, we propose, with the help of an accredited laboratory, to perform epigenetic tests on the three parameters listed above, paving the way to understanding how frequencies can influence gene expression.

scholarly journals Pseudomonas aeruginosa PA80 is a cystic fibrosis isolate deficient in RhlRI quorum sensing

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Syed A. K. Shifat Ahmed ◽  
Michelle Rudden ◽  
Sabrina M. Elias ◽  
Thomas J. Smyth ◽  
Roger Marchant ◽  
...  
Keyword(s):  
Cystic Fibrosis ◽  
Pseudomonas Aeruginosa ◽  
Quorum Sensing ◽  
Virulence Factors ◽  
Genomic Islands ◽  
Clinical Strain ◽  
Whole Genome ◽  
Synonymous Mutations ◽  
Wide Range

AbstractPseudomonas aeruginosa uses quorum sensing (QS) to modulate the expression of several virulence factors that enable it to establish severe infections. The QS system in P. aeruginosa is complex, intricate and is dominated by two main N-acyl-homoserine lactone circuits, LasRI and RhlRI. These two QS systems work in a hierarchical fashion with LasRI at the top, directly regulating RhlRI. Together these QS circuits regulate several virulence associated genes, metabolites, and enzymes in P. aeruginosa. Paradoxically, LasR mutants are frequently isolated from chronic P. aeruginosa infections, typically among cystic fibrosis (CF) patients. This suggests P. aeruginosa can undergo significant evolutionary pathoadaptation to persist in long term chronic infections. In contrast, mutations in the RhlRI system are less common. Here, we have isolated a clinical strain of P. aeruginosa from a CF patient that has deleted the transcriptional regulator RhlR entirely. Whole genome sequencing shows the rhlR locus is deleted in PA80 alongside a few non-synonymous mutations in virulence factors including protease lasA and rhamnolipid rhlA, rhlB, rhlC. Importantly we did not observe any mutations in the LasRI QS system. PA80 does not appear to have an accumulation of mutations typically associated with several hallmark pathoadaptive genes (i.e., mexT, mucA, algR, rpoN, exsS, ampR). Whole genome comparisons show that P. aeruginosa strain PA80 is closely related to the hypervirulent Liverpool epidemic strain (LES) LESB58. PA80 also contains several genomic islands (GI’s) encoding virulence and/or resistance determinants homologous to LESB58. To further understand the effect of these mutations in PA80 QS regulatory and virulence associated genes, we compared transcriptional expression of genes and phenotypic effects with isogenic mutants in the genetic reference strain PAO1. In PAO1, we show that deletion of rhlR has a much more significant impact on the expression of a wide range of virulence associated factors rather than deletion of lasR. In PA80, no QS regulatory genes were expressed, which we attribute to the inactivation of the RhlRI QS system by deletion of rhlR and mutation of rhlI. This study demonstrates that inactivation of the LasRI system does not impact RhlRI regulated virulence factors. PA80 has bypassed the common pathoadaptive mutations observed in LasR by targeting the RhlRI system. This suggests that RhlRI is a significant target for the long-term persistence of P. aeruginosa in chronic CF patients. This raises important questions in targeting QS systems for therapeutic interventions.

scholarly journals Whole genome-based characterisation of antimicrobial resistance and genetic diversity in Campylobacter jejuni and Campylobacter coli from ruminants

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Medelin Ocejo ◽  
Beatriz Oporto ◽  
José Luis Lavín ◽  
Ana Hurtado
Keyword(s):  
Genetic Diversity ◽  
Antimicrobial Resistance ◽  
Campylobacter Jejuni ◽  
Resistance Genes ◽  
Campylobacter Coli ◽  
Whole Genome ◽  
Northern Spain ◽  
Sequence Alignments ◽  
Phenotypic Data ◽  
Wide Range

AbstractCampylobacter, a leading cause of gastroenteritis in humans, asymptomatically colonises the intestinal tract of a wide range of animals.Although antimicrobial treatment is restricted to severe cases, the increase of antimicrobial resistance (AMR) is a concern. Considering the significant contribution of ruminants as reservoirs of resistant Campylobacter, Illumina whole-genome sequencing was used to characterise the mechanisms of AMR in Campylobacter jejuni and Campylobacter coli recovered from beef cattle, dairy cattle, and sheep in northern Spain. Genome analysis showed extensive genetic diversity that clearly separated both species. Resistance genotypes were identified by screening assembled sequences with BLASTn and ABRicate, and additional sequence alignments were performed to search for frameshift mutations and gene modifications. A high correlation was observed between phenotypic resistance to a given antimicrobial and the presence of the corresponding known resistance genes. Detailed sequence analysis allowed us to detect the recently described mosaic tet(O/M/O) gene in one C. coli, describe possible new alleles of blaOXA-61-like genes, and decipher the genetic context of aminoglycoside resistance genes, as well as the plasmid/chromosomal location of the different AMR genes and their implication for resistance spread. Updated resistance gene databases and detailed analysis of the matched open reading frames are needed to avoid errors when using WGS-based analysis pipelines for AMR detection in the absence of phenotypic data.

scholarly journals Mineral Physicochemistry Underlying Feature-Based Extraction of Mineral Abundance and Composition from Shortwave, Mid and Thermal Infrared Reflectance Spectra

Minerals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 347
Author(s):  
Carsten Laukamp ◽  
Andrew Rodger ◽  
Monica LeGras ◽  
Heta Lampinen ◽  
Ian C. Lau ◽  
...  
Keyword(s):  
Mineral Exploration ◽  
Relevant Information ◽  
Ore Deposits ◽  
Reflectance Spectra ◽  
Full Potential ◽  
Infrared Reflectance ◽  
Vibrational Modes ◽  
Diagnostic Features ◽  
Wide Range ◽  
Mineral Assemblages

Reflectance spectroscopy allows cost-effective and rapid mineral characterisation, addressing mineral exploration and mining challenges. Shortwave (SWIR), mid (MIR) and thermal (TIR) infrared reflectance spectra are collected in a wide range of environments and scales, with instrumentation ranging from spaceborne, airborne, field and drill core sensors to IR microscopy. However, interpretation of reflectance spectra is, due to the abundance of potential vibrational modes in mineral assemblages, non-trivial and requires a thorough understanding of the potential factors contributing to the reflectance spectra. In order to close the gap between understanding mineral-diagnostic absorption features and efficient interpretation of reflectance spectra, an up-to-date overview of major vibrational modes of rock-forming minerals in the SWIR, MIR and TIR is provided. A series of scripts are proposed that allow the extraction of the relative intensity or wavelength position of single absorption and other mineral-diagnostic features. Binary discrimination diagrams can assist in rapidly evaluating mineral assemblages, and relative abundance and chemical composition of key vector minerals, in hydrothermal ore deposits. The aim of this contribution is to make geologically relevant information more easily extractable from reflectance spectra, enabling the mineral resources and geoscience communities to realise the full potential of hyperspectral sensing technologies.

scholarly journals Recent Advances in Unmanned Aerial Vehicle Forest Remote Sensing—A Systematic Review. Part I: A General Framework

Forests ◽  
2021 ◽  
Vol 12 (3) ◽  
pp. 327 ◽  
Author(s):  
Riccardo Dainelli ◽  
Piero Toscano ◽  
Salvatore Filippo Di Gennaro ◽  
Alessandro Matese
Keyword(s):  
Remote Sensing ◽  
Unmanned Aerial Vehicle ◽  
Relevant Information ◽  
Forest Monitoring ◽  
Machine Learning Techniques ◽  
Planted Forests ◽  
Systematic Analysis ◽  
Aerial Photogrammetry ◽  
Wide Range ◽  
Aerial Vehicle

Natural, semi-natural, and planted forests are a key asset worldwide, providing a broad range of positive externalities. For sustainable forest planning and management, remote sensing (RS) platforms are rapidly going mainstream. In a framework where scientific production is growing exponentially, a systematic analysis of unmanned aerial vehicle (UAV)-based forestry research papers is of paramount importance to understand trends, overlaps and gaps. The present review is organized into two parts (Part I and Part II). Part II inspects specific technical issues regarding the application of UAV-RS in forestry, together with the pros and cons of different UAV solutions and activities where additional effort is needed, such as the technology transfer. Part I systematically analyzes and discusses general aspects of applying UAV in natural, semi-natural and artificial forestry ecosystems in the recent peer-reviewed literature (2018–mid-2020). The specific goals are threefold: (i) create a carefully selected bibliographic dataset that other researchers can draw on for their scientific works; (ii) analyze general and recent trends in RS forest monitoring (iii) reveal gaps in the general research framework where an additional activity is needed. Through double-step filtering of research items found in the Web of Science search engine, the study gathers and analyzes a comprehensive dataset (226 articles). Papers have been categorized into six main topics, and the relevant information has been subsequently extracted. The strong points emerging from this study concern the wide range of topics in the forestry sector and in particular the retrieval of tree inventory parameters often through Digital Aerial Photogrammetry (DAP), RGB sensors, and machine learning techniques. Nevertheless, challenges still exist regarding the promotion of UAV-RS in specific parts of the world, mostly in the tropical and equatorial forests. Much additional research is required for the full exploitation of hyperspectral sensors and for planning long-term monitoring.

scholarly journals E. coli NF73-1 Isolated From NASH Patients Aggravates NAFLD in Mice by Translocating Into the Liver and Stimulating M1 Polarization

2020 ◽  
Vol 10 ◽  
Author(s):  
Yifan Zhang ◽  
Weiwei Jiang ◽  
Jun Xu ◽  
Na Wu ◽  
Yang Wang ◽  
...  
Keyword(s):  
Gene Expression ◽  
Comparative Genomics ◽  
Whole Genome Sequencing ◽  
Genome Sequencing ◽  
Normal Diet ◽  
Specific Gene ◽  
Whole Genome ◽  
Metabolic Switch ◽  
M1 Macrophages ◽  
E Coli

ObjectiveThe gut microbiota is associated with nonalcoholic fatty liver disease (NAFLD). We isolated the Escherichia coli strain NF73-1 from the intestines of a NASH patient and then investigated its effect and underlying mechanism.Methods16S ribosomal RNA (16S rRNA) amplicon sequencing was used to detect bacterial profiles in healthy controls, NAFLD patients and NASH patients. Highly enriched E. coli strains were cultured and isolated from NASH patients. Whole-genome sequencing and comparative genomics were performed to investigate gene expression. Depending on the diet, male C57BL/6J mice were further grouped in normal diet (ND) and high-fat diet (HFD) groups. To avoid disturbing the bacterial microbiota, some of the ND and HFD mice were grouped as “bacteria-depleted” mice and treated with a cocktail of broad-spectrum antibiotic complex (ABX) from the 8th to 10th week. Then, E. coli NF73-1, the bacterial strain isolated from NASH patients, was administered transgastrically for 6 weeks to investigate its effect and mechanism in the pathogenic progression of NAFLD.ResultsThe relative abundance of Escherichia increased significantly in the mucosa of NAFLD patients, especially NASH patients. The results from whole-genome sequencing and comparative genomics showed a specific gene expression profile in E. coli strain NF73-1, which was isolated from the intestinal mucosa of NASH patients. E. coli NF73-1 accelerates NAFLD independently. Only in the HFD-NF73-1 and HFD-ABX-NF73-1 groups were EGFP-labeled E. coli NF73-1 detected in the liver and intestine. Subsequently, translocation of E. coli NF73-1 into the liver led to an increase in hepatic M1 macrophages via the TLR2/NLRP3 pathway. Hepatic M1 macrophages induced by E. coli NF73-1 activated mTOR-S6K1-SREBP-1/PPAR-α signaling, causing a metabolic switch from triglyceride oxidation toward triglyceride synthesis in NAFLD mice.ConclusionsE. coli NF73-1 is a critical trigger in the progression of NAFLD. E. coli NF73-1 might be a specific strain for NAFLD patients.

scholarly journals Dispersive evaluation and surface chemistry of advanced, multifunctional silica/lignin hybrid biomaterials

2013 ◽  
Vol 11 (11) ◽  
pp. 1860-1873 ◽  
Author(s):  
Magdalena Nowacka ◽  
Łukasz Klapiszewski ◽  
Małgorzata Norman ◽  
Teofil Jesionowski
Keyword(s):  
Zeta Potential ◽  
Surface Charge ◽  
Electrochemical Sensors ◽  
Relevant Information ◽  
Structural Features ◽  
Kraft Lignin ◽  
Morphological Properties ◽  
Wide Range ◽  
Hybrid Biomaterials

AbstractAdvanced silica/lignin hybrid biomaterials were obtained using hydrated or fumed silicas (Aerosil®200) and Kraft lignin as precursors, which is a cheap and biodegradable natural polymer. To extend the possible range of applications, the silicas were first modified with N-2-(aminoethyl)-3-aminopropyltrimethoxsysilane, and then with Kraft lignin, which had been oxidized with sodium periodate. The SiO2/lignin hybrids and precursors were characterised by means of determination of their physicochemical and dispersive-morphological properties. The effectiveness of silica binding to lignin was verified by FT-IR spectroscopy. The zeta potential value provides relevant information regarding interactions between colloid particles. Measurement of the zeta potential values enabled an indirect assessment of stability for the studied hybrid systems. Determination of zeta potential and density of surface charge also permitted the quantitative analysis of changes in surface charge, and indirectly confirmed the effectiveness of the proposed method for synthesis of SiO2/lignin hybrid materials. A particularly attractive feature for practical use is their stability, especially electrokinetic stability. It is expected that silica/lignin hybrids will find a wide range of applications (polymer fillers, biosorbents, electrochemical sensors), as they combine the unique properties of silica with the specific structural features of lignin. This makes these hybrids biomaterials advanced and multifunctional.

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