Publications

Objective: In the present study, an attempt has been made for subtractive proteomic analysis approach for novel drug targets in Salmonella enterica subsp. enterica serover Typhi str.CT18 using computational tools. Method: Paralogous, redundant and less than 100 amino acid protein sequences were removed by using CD-HIT. Further detection of bacterial proteins which are non-homologous to host and are essential for the survival of pathogens by using BLASTp against host proteome and DEG`s, respectively. Comparative Metabolic pathways analysis was performed to find unique and common metabolic pathways. The non-redundant, non-homologous and essential proteins were BLAST against approved drug targets for drug targets while Psortb and CELLO were used to predict subcellular localization. Result: There were 4473 protein sequences present in NCBI Database for Salmonella enterica subsp. enterica serover Typhi str. CT18 out of these 327 were essential proteins which were non-homologous to human. Among these essential proteins, 124 proteins were involved in 19 unique metabolic pathways. These proteins were further BLAST against approved drug targets in which 7 cytoplasmic proteins showed druggability and can be used as a therapeutic target. Conclusion: Drug targets identification is the prime step towards drug discovery. We identified 7 cytoplasmic druggable proteins which are essential for the pathogen survival and non-homologous to human proteome. Further in vitro and in vivo validation is needed for the evaluation of these targets to combat against salmonellosis.

<title>Abstract</title> With an increasing fatality rate, severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) has emerged as a promising threat to human health worldwide. SARS-CoV-2 is a member of the <italic>Coronaviridae </italic>family, which is transmitted from animal to human and because of being contagious, further it transmitted human to human. Recently, the World Health Organization (WHO) has announced the infectious disease caused by SARS-CoV-2, which is known as coronavirus disease-2019 (COVID-2019) as a global pandemic. But, no specific medications are available for the treatment of COVID-19 so far. As a corollary, there is a need for a potential vaccine to impede the progression of the disease. Lately, it has been documented that the nucleocapsid (N) protein of SARS-CoV-2 is responsible for viral replication as well as interferes with host immune responses. We have comparatively analyzed the sequences of N protein of SARS-CoV-2 for the identification of core attributes and analyzed the ancestry through phylogenetic analysis. Subsequently, we have predicted the most immunogenic epitope for T-cell as well as B-cell. Importantly, our investigation mainly focused on major histocompatibility complex (MHC) class I potential peptides and NTASWFTAL interacted with most human leukocyte antigen (HLA) that are encoded by MHC class I molecules. Further, molecular docking analysis unveiled that NTASWFTAL possessed a greater affinity towards HLA and also available in a greater range of the population. Our study provides a consolidated base for vaccine design and we hope that this computational analysis will pave the way for designing novel vaccine candidates.

Pomegranate is native to the region between Iran and northern India, as well as cultivated in China with a large planting area and a variety of high-quality species. Pomegranate not only has delicious fruits and beautiful flowers, but it is rich in bioactive compounds with benefits to human health.The distribution and content of bioactive components in different organs and by-products of pomegranate have distinct characteristics. A variety of phenols, flavonoids, and triterpenoids exist in pomegranate peels and flowers, whereas the active ingredients in the leaves are mainly tannins. Arils and seeds are good sources of anthocyanins and unsaturated fatty acids, respectively. Pomegranate possesses antioxidant, anti-inflammatory, anti-cancer, anti-diabetic, anti-cardiovascular, anti-pathogenic and skin care effects, among others. It is also widely used in food, health care, medicinal, and ornamental purposes. This review summarizes recent research progress on pomegranate, putting forward some innovative applications for the development and utilization of pomegranate resources. This review also provides a theoretical basis for the research and industrialization of pomegranate, as well as a reference for further development of pomegranate germplasm resources.

The food industry generates large amounts of organic waste, which generally accumulates in landfills or is burned, causing environmental problems. However, many studies indicate that this waste is rich in bioactive compounds, so it could be revalued for transformation purposes into high-value-added products, thus favoring the circular and sustainable economy, while also reducing environmental impact and climate change. It is estimated that the wine industry (Vitis vinifera L.), in terms of weight, produces up to 30% of waste in relation to the material used, including the stems, skins, seeds, and pomace, i.e., dietary sources rich in phenolic compounds, minerals, acids fatty acids, and dietary fiber, which have had beneficial effects on health, including antioxidant, antimicrobial, anti-inflammatory, and even anticancer activities, both in vitro and in vivo. In this sense, chemical characterization (minerals, phenolic compounds, and fatty acid profiles) was carried out in dehydrated and ground seeds of Vitis vinifera L., and in the oily extract, obtained by supercritical fluids (SCFEs) at 20 MPa. Minerals were quantified by inductively coupled plasma optical emission spectrometry (ICP-OES), the phenolic profile was identified and quantified by liquid chromatography&amp;ndash;mass spectrometry (LC-MS/MS), and the profile of fatty acids was studied by gas chromatography coupled with a flame ionization detector (GC-FID). The main minerals found were calcium, potassium, and magnesium. The total calcium concentration (22.66 g/kg) in the oily extract should be emphasized in comparison to that of seeds (7.8 g/kg). The potassium concentration was 3.9 g/kg in seeds and 1.53 g/kg in the extract, while magnesium values of 1.4 g/kg and 0.59 g/kg corresponded to the seeds and extract, respectively. Regarding the polyphenol profile, the seeds mainly contained dihydroxybenzoic acid (42.580 mg/kg), catechin (81.05 mg/kg), quercetin (4856 mg/kg), and resveratrol (1 mg/kg) as the main phenols, while the oily extract mainly included oleacein (156.942 mg/kg), hydroxytyrosol (10.226 mg/kg), and Tyrosol (8644 mg/kg). Additionally, a profile of healthy fatty acids was obtained, with polyunsaturated fatty acids (PUFAs) representing the majority (71.4%), including oleic acids (16.868 mg/kg) and linoleic acid (82.606 mg/kg). The results obtained show that these by-products could be applied as part of the formulation of functional foods, nutraceuticals, and cosmetics, aimed at a broad yet niche population, for the prevention of different diseases.

Pugionium cornutum (L.) Gaertn (also Pugionium ) is a special Mongolian vegetable, belonging to the Cruciferous family, growing in arid and semi-arid areas of northern China, with a unique flavor and potential health benefits. This article aims to describe the profile of volatile flavor compounds in fresh and different dehydrated samples, establish the fingerprint, and identify the characteristic compounds. The fresh Pugionium sample and 3 kinds of dehydrated samples were analyzed. Headspace/gas chromatography-ion migration spectrometry (HS/GC-IMS) and solid-phase microextraction/gas chromatography-mass spectrometry (SPME/GC-MS) were used for identification and relative quantification. HS/GC-IMS identified 78 compounds, whereas SPME/GC-MS identified 53 compounds. Principal component analysis (PCA), clustering analysis, and partial least squares discriminant analysis (PLS-DA) were used as appropriate to investigate variations in volatile compounds among Pugionium samples and identify distinctive compounds. The first two principal components described 76.5% and 69.5% of the variance of the data from HS/GC-IMS and SPME/GC-MS, respectively. By clustering analysis, 4 kinds of Pugionium samples could be classified into four independent groups. The similarity between fresh Pugionium and natural dehydration Pugionium was higher than the other two dehydrated samples, indicating that natural dehydration can better preserve the flavor of Pugionium . Most aldehydes and alcohols increased following different dehydration procedures, whereas esters decreased, and the dehydrated Pugionium samples have more harmonious and less pungent aroma than the fresh Pugionium . PLS-DA model analysis revealed that the marker compounds (VIP scores &amp;gt; 1) discriminating the flavor of the four samples for HS/GC-IMS and SPME/GC-MS were 24 and 15 compounds, respectively, such as 2-phenylethyl isothiocyanate, 1-butene-4-isothiocyanate and other isothiocyanates, 2-propanone, nonanal, gamma-butyrolactone, 2,3-butanediol, 3-methyl-2-butenenitrile, and pentanal. Analysis of volatile compounds might be useful for monitoring the quality of Pugionium and guiding the cooking methods and processing technologies. More study is required to discover if the various volatile flavor compounds have biological or physiological impacts on nutrition.

Plasmonic materials are well stablished and used in fields like biomedicine or energy harvesting due to their exceptional optical properties. One of the most interesting characteristics of plasmonic nanoparticles is their ability to confine light at the nanoscale. Nevertheless, such behaviour can also be found in some non-metallic materials as in organic-excitonic materials based on J-aggregates. Herein, we evaluate the synthetic route to obtain colloidal dispersions of excitonic core-shell nanoparticles that can mimicking plasmonic behaviour.

Mitochondrial DNA (mtDNA) recombination has been observed in several animal species, but there are doubts as to whether it is common or only occurs under special circumstances. Animal mtDNA sequences retrieved from public databases were unambiguously aligned and rigorously tested for evidence of recombination. At least 30 recombination events were detected among 186 alignments examined. Recombinant sequences were found in invertebrates and vertebrates, including primates. It appears that mtDNA recombination may occur regularly in the animal cell but rarely produces new haplotypes because of homoplasmy. Common animal mtDNA recombination would necessitate a reexamination of phylogenetic and biohistorical inference based on the assumption of clonal mtDNA transmission. Recombination may also have an important role in producing and purging mtDNA mutations and thus in mtDNA-based diseases and senescence.

Abstract J‐aggregates are promising organic materials for nanophotonic applications due to their excitonic properties and ability to support surface exciton polaritons at room temperature, providing a robust platform for nanoscale light manipulation. Colloidal J‐aggregate nanoparticles have demonstrated unique benefits such as easy integration into devices and combination with other materials, and enhanced surface‐to‐volume ratios. Herein, the one‐step synthesis of colloidal J‐aggregate flakes is reported in water based on electrostatic interaction of cyanine molecules (TDBC) and oppositely charged polyelectrolytes (polydiallyldimethylammonium chloride, PDDA). These flakes exhibit colloidal stability maintaining the J‐aggregate conformation even in solvents that favoured their monomeric state. The characterization of the colloidal J‐aggregate flakes reveals no significant monomer contribution and, more importantly, their capability to support surface exciton polaritons at room temperature (for first time). This is further confirmed at single‐particle level by observing an angular‐independent Reststrahlen band near the excitonic resonance. In addition, the colloidal flakes exhibit a strong scattering component that broadens the extinction band and redshifts the photoluminescence, indicating that the colloidal architecture influences the optical response. These findings introduce a versatile colloidal system, extendable to other cyanine dyes, for constructing excitonic nanostructures tailored for advanced photonic applications.

Flavonoids are secondary metabolites of plants that often have medical applications. The influences of different sample drying pretreatments on flavonoids and antioxidant activity of ferns have not studies. Dryopteris erythrosora leaves used to analyze flavonoid alterations resulting from drying pretreatments. The total flavonoid content of D. erythrosora leaves exposed to different pretreatments was significantly different. The total flavonoid content of samples initially air-dried in shade and then oven-dried at 75°C were the highest (7.6%), while samples initially dried at 75°C had the lowest content (2.17%). Antioxidant activities of D. erythrosora leaves with different pretreatments varied. Group B first air-dried in the shade and then oven-dried at 75°C and group C first air-dried in the sun and then oven-dried at 75°C, both showed relatively stronger antioxidant activity. The best pretreatment for preserving the flavonoids was to first dry the plant material in the shade and then complete the drying process in an oven at 75°C. It was tentatively identified 22 flavonoids among the four different pretreatments by HPLC-ESI-TOF-MS.

Nowadays, anthocyanins have gained scientific and industrial attention due to their biological activities and coloring properties. In this regard, anthocyanins have been proposed for use in the development of new nutraceutical foods to replace synthetic additives as well as to be value-added ingredients. The aim of this study was to evaluate current data on identification and quantification techniques and the validation process of such methods. Our results showed that anthocyanins have been identified by different methods, including nuclear magnetic resonance and chromatography-based techniques. Although problems have been described in this validation, most of the reports showed positive results on the validation parameters, suggesting that the current analytical technology offers a satisfactory identification and quantification of anthocyanins.