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1.
Int J Mol Sci ; 24(4)2023 Feb 09.
Artículo en Inglés | MEDLINE | ID: mdl-36834889

RESUMEN

Silver nanoparticles (AgNPs) were fabricated using Trigonella foenum-graceum L. leaf extract, belonging to the variety HM 425, as leaf extracts are a rich source of phytochemicals such as polyphenols, flavonoids, and sugars, which function as reducing, stabilizing, and capping agents in the reduction of silver ions to AgNPs. These phytochemicals were quantitatively determined in leaf extracts, and then, their ability to mediate AgNP biosynthesis was assessed. The optical, structural, and morphological properties of as-synthesized AgNPs were characterized using UV-visible spectroscopy, a particle size analyzer (PSA), FESEM (field emission scanning electron microscopy), HRTEM (high-resolution transmission electron microscopy), and FTIR (Fourier transform infrared spectroscopy). HRTEM analysis demonstrated the formation of spherically shaped AgNPs with a diameter of 4-22 nm. By using the well diffusion method, the antimicrobial potency of AgNPs and leaf extract was evaluated against microbial strains of Staphylococcus aureus, Xanthomonas spp., Macrophomina phaseolina, and Fusarium oxysporum. AgNPs showed significant antioxidant efficacy with IC50 = 426.25 µg/mL in comparison to leaf extract with IC50 = 432.50 µg/mL against 2,2-diphenyl-1-picrylhydrazyl (DPPH). The AgNPs (64.36 mg AAE/g) demonstrated greater total antioxidant capacity using the phosphomolybdneum assay compared to the aqueous leaf extract (55.61 mg AAE/g) at a concentration of 1100 µg/mL. Based on these findings, AgNPs may indeed be useful for biomedical applications and drug delivery systems in the future.


Asunto(s)
Antiinfecciosos , Nanopartículas del Metal , Trigonella , Antioxidantes/química , Antibacterianos/química , Plata/química , Nanopartículas del Metal/química , Extractos Vegetales/química , Antiinfecciosos/química , Espectroscopía Infrarroja por Transformada de Fourier
2.
Molecules ; 28(3)2023 Jan 18.
Artículo en Inglés | MEDLINE | ID: mdl-36770623

RESUMEN

The aqueous Trigonella foenum-graecum L. leaf extract belonging to variety HM 444 was used as reducing agent for silver nanoparticles (AgNPs) synthesis. UV-Visible spectroscopy, Particle size analyser (PSA), Field emission scanning electron microscopy coupled to energy dispersive X-ray spectroscopy (FESEM-EDX) and High-resolution transmission electron microscopy (HRTEM) were used to characterize AgNPs. Selected area electron diffraction (SAED) confirmed the formation of metallic Ag. Fourier Transform Infrared Spectroscopy (FTIR) was done to find out the possible phytochemicals responsible for stabilization and capping of the AgNPs. The produced AgNPs had an average particle size of 21 nm, were spherical in shape, and monodispersed. It showed catalytic degradation of Methylene blue (96.57%, 0.1665 ± 0.03 min-1), Methyl orange (71.45%, 0.1054 ± 0.002 min-1), and Rhodamine B (92.72%, 0.2004 ± 0.01 min-1). The produced AgNPs were excellent solid bio-based sensors because they were very sensitive to Hg2+ and Fe3+ metal ions with a detection limit of 11.17 µM and 195.24 µM, respectively. From the results obtained, it was suggested that aqueous leaf extract demonstrated a versatile and cost-effective method and should be utilized in future as green technology for the fabrication of nanoparticles.


Asunto(s)
Mercurio , Nanopartículas del Metal , Trigonella , Colorantes/metabolismo , Plata/química , Trigonella/química , Colorimetría , Nanopartículas del Metal/química , Espectroscopía Infrarroja por Transformada de Fourier , Mercurio/metabolismo , Tecnología Química Verde/métodos , Extractos Vegetales/química , Difracción de Rayos X
3.
Trop Anim Health Prod ; 55(4): 274, 2023 Jul 20.
Artículo en Inglés | MEDLINE | ID: mdl-37470864

RESUMEN

Cattle are usually raised for food, manure, leather, therapeutic, and draught purposes. Biowastes from cattle, such as dung and urine, harbor a diverse group of crucial compounds, metabolites/chemicals, and microorganisms that may benefit humans for agriculture, nutrition, therapeutics, industrial, and other utility products. Several bioactive compounds have been identified in cattle dung and urine, which possess unique properties and may vary based on agro-climatic zones and feeding practices. Therefore, cattle dung and urine have great significance, and a balanced nutritional diet may be a key to improved quality of these products/by-products. This review primarily focuses on the scientific aspects of biochemical and microbial characterization of cattle biowastes. Various methods including genomics for analyzing cattle dung and gas chromatography-mass spectroscopy for cattle urine have been reviewed. The presented information might open doors for the further characterization of cattle resources for heterogeneous applications in the production of utility items and addressing research gaps. Methods for cattle's dung and urine characterization.


Asunto(s)
Agricultura , Estiércol , Humanos , Bovinos , Animales , Heces/química , Estiércol/análisis , Estado Nutricional
4.
Entropy (Basel) ; 25(4)2023 Mar 23.
Artículo en Inglés | MEDLINE | ID: mdl-37190336

RESUMEN

This paper demonstrates that some non-classical models of human decision-making can be run successfully as circuits on quantum computers. Since the 1960s, many observed cognitive behaviors have been shown to violate rules based on classical probability and set theory. For example, the order in which questions are posed in a survey affects whether participants answer 'yes' or 'no', so the population that answers 'yes' to both questions cannot be modeled as the intersection of two fixed sets. It can, however, be modeled as a sequence of projections carried out in different orders. This and other examples have been described successfully using quantum probability, which relies on comparing angles between subspaces rather than volumes between subsets. Now in the early 2020s, quantum computers have reached the point where some of these quantum cognitive models can be implemented and investigated on quantum hardware, by representing the mental states in qubit registers, and the cognitive operations and decisions using different gates and measurements. This paper develops such quantum circuit representations for quantum cognitive models, focusing particularly on modeling order effects and decision-making under uncertainty. The claim is not that the human brain uses qubits and quantum circuits explicitly (just like the use of Boolean set theory does not require the brain to be using classical bits), but that the mathematics shared between quantum cognition and quantum computing motivates the exploration of quantum computers for cognition modeling. Key quantum properties include superposition, entanglement, and collapse, as these mathematical elements provide a common language between cognitive models, quantum hardware, and circuit implementations.

5.
J Vector Borne Dis ; 59(3): 206-215, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-36511036

RESUMEN

BACKGROUND & OBJECTIVES: A successful blood meal acquisition process by an adult female mosquito is accomplished through salivary glands, which releases a cocktail of proteins to counteract the vertebrate host's immune homeostasis. Here, we characterize a salivary-specific Heme peroxidase family member HPX12, originally identified from Plasmodium vivax infected salivary RNAseq data of the mosquito Anopheles stephensi. METHODS: To demonstrate we utilized a comprehensive in silico and functional genomics approach. RESULTS: Our dsRNA-mediated silencing experiments demonstrate that salivary AsHPX12 may regulate pre-blood meal-associated behavioral properties such as probing time, probing propensity, and host attraction. Altered expression of the salivary secretory and antennal proteins expression may have accounted for salivary homeostasis disruption resulting in the unusual fast release of salivary cocktail proteins and delayed acquisition of blood meal in the AsHPX12 knockdown mosquitoes. We also observed a significant parallel transcriptional modulation in response to blood feeding and P. vivax infection. INTERPRETATION & CONCLUSION: With this work, we establish a possible functional correlation of AsHPX12 role in the maintenance of salivary physiological-homeostasis, and Plasmodium sporozoites survival/transmission, though the mechanism is yet to unravel.


Asunto(s)
Anopheles , Malaria Vivax , Adulto , Animales , Femenino , Humanos , Anopheles/fisiología , Esporozoítos/fisiología , Plasmodium vivax/genética , Glándulas Salivales
6.
Immunol Cell Biol ; 98(9): 757-769, 2020 10.
Artículo en Inglés | MEDLINE | ID: mdl-32623757

RESUMEN

The immune blood cells "hemocytes" of mosquitoes impart a highly selective immune response against various microorganisms/pathogens. Among several immune effectors, fibrinogen-related proteins (FREPs) have been recognized as key modulators of cellular immune responses; however, their physiological relevance has not been investigated in detail. Our ongoing comparative RNA-sequencing analysis identified a total of 13 FREPs originating from naïve sugar-fed, blood-fed, bacterial challenged and Plasmodium vivax-infected hemocytes in Anopheles stephensi. Transcriptional profiling of the selected seven FREP transcripts showed distinct responses against different pathophysiological conditions, where an exclusive induction of FREP12 after 10 days of P. vivax infection was observed. This represents a possible role of FREP12 in immunity against free circulating sporozoites and needs to be explored in the future. When challenged with live bacterial injection in the thorax, we observed a higher affinity of FREP13 and FREP65 toward Gram-negative and Gram-positive bacteria in the mosquito hemocytes, respectively. Furthermore, we observed increased bacterial survival and proliferation, which is likely compromised by the downregulation of TEP1, in FREP13 messenger RNA-depleted mosquito hemolymph. In contrast, after blood-feeding, we also noticed a significant delay of 24 h in the enrichment of gut endosymbionts in the FREP13-silenced mosquitoes. Taken together, we conclude that hemocyte-specific FREP13 carries the unique ability of tissue-specific regulation, having an antagonistic antibacterial role in the hemolymph, and an agonistic role against gut endosymbionts.


Asunto(s)
Anopheles , Microbioma Gastrointestinal , Hemocitos/parasitología , Hemolinfa/microbiología , Proteínas de Insectos/genética , Animales , Anopheles/inmunología , Bacterias , Plasmodium vivax , Esporozoítos , Simbiosis
7.
Phys Chem Chem Phys ; 22(20): 11558-11566, 2020 May 28.
Artículo en Inglés | MEDLINE | ID: mdl-32395736

RESUMEN

We demonstrate herein a computational study probing the influence of metalloporphyrins on intermolecular halogen bonding (XB) during supramolecular self-assembly. The results demonstrate that porphyrin aromatic rings can activate or deactivate halogen bonding interactions, especially those on axial ligands, and further influence the preference type of halogen···halogen bonding during the supramolecular self-assembly. Calculations show that the halogen atom present at the equatorial position has a higher sigma hole potential (VS,max) than that at the axial position. The computational analysis and our observations from the X-ray structure analysis are in good agreement. From structural analysis it is clear that equatorial halogen atoms prefer to participate in Type-II XB interactions whereas the axial halogen atoms either participate in Type-I XB interaction or reluctant to participate in XB interactions due to the decrease of their sigma hole potential. Thus, we demonstrate, herein, for the first time a computational study probing the direct influence of the porphyrin's ring current on the sigma hole potential (VS,max) of the halogen atoms and subsequently the effects of the supramolecular self-assembly.

8.
Molecules ; 25(21)2020 Oct 26.
Artículo en Inglés | MEDLINE | ID: mdl-33114668

RESUMEN

The synthesis of hitherto unknown 5'-deoxy-5'-(4-substituted-1,2,3-triazol-1-yl)-uridine and its evaluation, through an one-pot screening assay, against MurA-F enzymes involved in Mycobacterium tuberculosis (Mtb), are described. Starting from UDP-N-acetylmuramic acid (UDP-MurNAc), the natural substrate involved in the peptidoglycan biosynthesis, our strategy was to substitute the diphosphate group of UDP-MurNAc by a 1,2,3-triazolo spacer under copper-catalyzed azide-alkyne cycloaddition conditions. The structure-activity relationship was discussed and among the 23 novel compounds developed, N-acetylglucosamine analogues 11c and 11e emerged as the best inhibitors against the Mtb MurA-F enzymes reconstruction pathway with an inhibitory effect of 56% and 50%, respectively, at 100 µM. Both compounds are selective inhibitors of Mtb MurE, the molecular docking and molecular dynamic simulation suggesting that 11c and 11e are occupying the active site of Mtb MurE ligase.


Asunto(s)
Diseño de Fármacos , Mycobacterium tuberculosis/enzimología , Péptido Sintasas/antagonistas & inhibidores , Triazoles/química , Uridina/síntesis química , Uridina/farmacología , Dominio Catalítico , Técnicas de Química Sintética , Inhibidores Enzimáticos/síntesis química , Inhibidores Enzimáticos/química , Inhibidores Enzimáticos/farmacología , Simulación del Acoplamiento Molecular , Péptido Sintasas/química , Péptido Sintasas/metabolismo , Uridina/química
9.
Med Mycol ; 55(8): 820-827, 2017 Nov 01.
Artículo en Inglés | MEDLINE | ID: mdl-28204573

RESUMEN

We describe Mus musculus castaneus as a new mammalian host for Cryptococcus neoformans var. grubii (VNI). Eighteen apparently healthy adults and pups of the rodent were collected from human dwellings in Varanasi, a city of India. Both clinical and behavioral examinations of the rodents did not reveal any sign of the disease. Among visceral organs, histological examination of only liver exhibited the presence of single celled, encapsulated, Southgate's mucicarmine positive fungal structures consistent with C. neoformans. Nevertheless, culture of tissue homogenates of brain, lungs, liver, and kidneys yielded white colonies on Sabouraud's dextrose agar and brown mucoid colonies of C. neoformans on Staib's and Tobacco agar media. The pathogen was isolated from habitat soil as well as fresh faeces of the animals. All isolates were urease positive, nitrate and canavanine-glycine bromothymol blue negative, exhibited phenoloxidase activity and grew at 37°C. The isolates were identified as C. neoformans var. grubii with ITS primers and unique marker (GACA)4. The pathogen when inoculated in immunosuppressed mice showed low pathogenicity. To our knowledge, we for the first time report case cluster of Mus musculus castaneus as new passenger host for C. neoformans var. grubii (VNI).


Asunto(s)
Criptococosis/microbiología , Cryptococcus neoformans/aislamiento & purificación , Reservorios de Enfermedades/microbiología , Animales , Criptococosis/transmisión , Cryptococcus neoformans/clasificación , Cryptococcus neoformans/genética , Cryptococcus neoformans/patogenicidad , ADN de Hongos/genética , ADN Espaciador Ribosómico/genética , Heces/microbiología , Interacciones Huésped-Patógeno , Huésped Inmunocomprometido , India , Ratones , Técnicas de Tipificación Micológica , Reacción en Cadena de la Polimerasa , Microbiología del Suelo , Virulencia
10.
Bioresour Technol ; 387: 129503, 2023 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-37506938

RESUMEN

Rice straw is composed of complex lignocellulosic biomass, representing a major obstacle in its conversion to bioenergy. The objective of this study was to evaluate the usefulness of less explored fungal strains Trichoderma longibrachiatum (TL) and Pycnoporus sanguineus (PS) in improving hydrolysis and bioavailability of rice straw in anaerobic digestion (AD). The fungal treatment of rice straw for 10 days by PS and TL increased biogas production by 20.79% and 17.85% and reduced soluble chemical oxygen demand (sCOD) by 71.43% and 64.70%, respectively. The AD samples containing fungal-treated rice straw showed higher lignocellulolytic enzyme activities contributing to better process performance. The taxonomic profile of microbial communities in treated samples showed increased diversity that could sustain consistent system performance and exhibit enhanced resilience against pH fluctuations. Metagenomic analysis revealed 60.82% increase in Proteobacteria in PS and 11.58% increase in Bacteroidetes in TL-treated rice straw samples resulting in improved hydrolysis.


Asunto(s)
Oryza , Polyporaceae , Anaerobiosis , Biocombustibles/análisis , Metano/análisis
11.
World J Diabetes ; 14(6): 656-679, 2023 Jun 15.
Artículo en Inglés | MEDLINE | ID: mdl-37383588

RESUMEN

Diabetes mellitus is a complicated disease characterized by a complex interplay of genetic, epigenetic, and environmental variables. It is one of the world's fastest-growing diseases, with 783 million adults expected to be affected by 2045. Devastating macrovascular consequences (cerebrovascular disease, cardiovascular disease, and peripheral vascular disease) and microvascular complications (like retinopathy, nephropathy, and neuropathy) increase mortality, blindness, kidney failure, and overall quality of life in individuals with diabetes. Clinical risk factors and glycemic management alone cannot predict the development of vascular problems; multiple genetic investigations have revealed a clear hereditary component to both diabetes and its related complications. In the twenty-first century, technological advancements (genome-wide association studies, next-generation sequencing, and exome-sequencing) have led to the identification of genetic variants associated with diabetes, however, these variants can only explain a small proportion of the total heritability of the condition. In this review, we address some of the likely explanations for this "missing heritability", for diabetes such as the significance of uncommon variants, gene-environment interactions, and epigenetics. Current discoveries clinical value, management of diabetes, and future research directions are also discussed.

12.
J Microbiol Methods ; 214: 106841, 2023 11.
Artículo en Inglés | MEDLINE | ID: mdl-37832922

RESUMEN

Quantification of the abundance and understanding of the dynamics of the microbial communities is essential to establish a basis for microbiome characterization. The conventional techniques used for the quantification of microbes are complicated and time-consuming. With scientific advancement, many techniques evolved and came into account. Among them, flow cytometry is a robust, high-throughput technique through which microbial dynamics, morphology, microbial distribution, physiological characteristics, and many more attributes can be studied in a high-throughput manner with comparatively less time and resources. Flow cytometry, when combined with other omics-based methods, offers a rapid and efficient platform to analyze and understand the composition of microbiome at the cellular level. The microbial diversity observed through flow cytometry will not be equivalent to that obtained by sequencing methods, but this integrated approach holds great potential for high throughput characterization of microbiomes. Flow cytometry is regarded as an established characterization tool in haematology, oncology, immunology, and medical microbiology research; however, its application in environmental microbiology is yet to be explored. This comprehensive review aims to delve into the diverse environmental applications of flow cytometry across various domains, including but not limited to bioremediation, landfills, anaerobic digestion, industrial bioprocesses, water quality regulation, and soil quality regulation. By conducting an in-depth analysis, this article seeks to shed light on the potential benefits and challenges associated with the utilization of flow cytometry in addressing environmental concerns.


Asunto(s)
Microbiota , Citometría de Flujo/métodos , Microbiología Ambiental , Análisis de Secuencia de ADN/métodos , Calidad del Agua
13.
Int J Biol Macromol ; 253(Pt 8): 127543, 2023 Dec 31.
Artículo en Inglés | MEDLINE | ID: mdl-37866555

RESUMEN

Lotus (Nelumbo nucifera G.) rhizomes are an under-utilized and sustainable starch source that constitutes up to 20 % starch. The review mainly focused on the extraction methods of starch, the chemical composition of LRS, and techno-functional characteristics such as swelling power, solubility, in vitro digestibility, pasting property, and gelatinization is highlighted in LRS review. Lotus rhizome starch (LRS) is also used as a water retention agent, thickening, gelling, stabilizing, and filling in food and non-food applications. Native starch has limited functional characteristics in food applications so by modifying the starch, functional characteristics are enhanced. Single and dual treatment processes are available to enhance microstructural properties, resistant starch, techno-functional, morphological, and, film-forming properties. Compared with other starch sources, there is a lack of systematic information on the LRS. Many industries are interested in developing food products based on starch such as nanoparticles, hydrogels, edible films, and many others. Additionally, there are several recommendations to improve the applications in the food industry. Finally, we provide an outlook on the future possibility of LRS.


Asunto(s)
Lotus , Nelumbo , Almidón/química , Nelumbo/química , Rizoma/química , Lotus/química , Solubilidad
14.
Ayu ; 43(2): 45-53, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-37655171

RESUMEN

Introduction: Agad Tantra being the unique branch that deals with toxicology and its management enlists several antitoxic drugs used for various poisonings. Ancient texts comprise the list of a wide range of traditional medicines, but they are not explored due to lack of incomprehension. Aims: The review has been written with the aim to dig out the hidden knowledge of Vishaghna Dravyas (alexeterics) mentioned in Kaiydeva Nighantu. Materials and methods: This Nighantu was written in the 15th century A. D. by Kaiydeva with the name "Pathya-Apathya-Vibodhaka" it comprising of total 514 Dravyas out of which 175 drugs possess Vishagna (anti-poisonous) property. Results: These Vishaghna Dravyas (alexeterics) have been distributed based on various Vargas (classes) which is described as 121 belonging to Ausghada Varga (drug class) as single drugs and four as groups, total of 16 from Dhatu Varga (metal class) as single drugs and one as compound or as a group, 9 from Dhanya Varga (cereal class) as a single drug, 15 in Dravya Varga as single drugs, and 5 as compound or as a group. Two each in Kritana Varga and Vihara Varga and one in Mansa Varga as compound or as a group. Out of all the 175 Vishagna Dravayas (alexeterics), 18 Dravyas (substances) are specific indications in combating particular types of envenomation or poisoning conditions. Conclusion: All the abovementioned drugs are screened for the purpose of revalidation to bring out their therapeutic utility.

15.
J Biosci ; 472022.
Artículo en Inglés | MEDLINE | ID: mdl-36476775

RESUMEN

In type 2 diabetes mellitus (T2DM) patients, chronic hyperglycemia and inflammation underlie susceptibility to tuberculosis (TB) and result in poor TB control. Here, an integrative pathway-based approach is used to investigate perturbed pathways in T2DM patients that render susceptibility to TB. We obtained 36 genes implicated in type 2 diabetes-associated tuberculosis (T2DMTB) from the literature. Gene expression analysis on T2DM patient data (GSE26168) showed that DEFA1 is differentially expressed at Padj <0.05. The human host TB susceptibility genes TNFRSF10A, MSRA, GPR148, SLC37A3, PXK, PROK2, REV3L, PGM1, HIST3H2A, PLAC4, LETM2, and EMP2 and hsa-miR-146a microRNA were also differentially expressed at Padj <0.05. We included all these genes and added the remaining 28 genes from the T2DMTB set and the remaining differentially expressed genes at Padj <0.05 in STRING and obtained a well-connected network with high confidence score (≥0.7). Further, we extracted the KEGG pathways at FDR <0.05 and retained only the diabetes and TB pathways. The network was simulated with BioNSi using gene expression data. It is evident from BioNSi analysis that the NF-kappa B and Toll-like receptor pathways are commonly perturbed with high ranking in multiple gene expression datasets of type 2 diabetes versus healthy controls. The other pathways, necroptosis pathway and FoxO signalling pathway, appear perturbed with high ranking in different gene expression datasets. These pathways likely underlie susceptibility to TB in T2DM patients.


Asunto(s)
Diabetes Mellitus Tipo 2 , Tuberculosis , Humanos , Diabetes Mellitus Tipo 2/complicaciones , Diabetes Mellitus Tipo 2/genética , Tuberculosis/genética , ADN Polimerasa Dirigida por ADN , Proteínas de Unión al ADN , Glicoproteínas de Membrana
16.
Bioresour Technol ; 361: 127662, 2022 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-35872275

RESUMEN

The ever-increasing consumption of antibiotics in both humans and animals has increased their load in municipal and pharmaceutical industry waste and may cause serious damage to the environment. Impact of antibiotics on the performance of commercially used anaerobic digesters in terms of bioenergy output, antibiotics' removal and COD removal have been compared critically with a few studies indicating >90% removal of antibiotics. AnMBR performed the best in terms of antibiotic removal, COD removal and methane yield. Most of the antibiotics investigated have adverse effects on microbiome associated with different stages and methane generation pathways of AD which has been assessed using high throughput technologies like metatranscriptomics, metaproteomics and flow cytometry. Perspectives have been given for understanding the fate and elimination of antibiotics from AD. The challenge of optimization and process improvement needs to be addressed to increase efficiency of the anaerobic digesters.


Asunto(s)
Reactores Biológicos , Microbiota , Anaerobiosis , Animales , Antibacterianos , Humanos , Metano/metabolismo , Aguas del Alcantarillado
17.
J Biomol Struct Dyn ; 40(22): 12118-12134, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-34486935

RESUMEN

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused a colossal loss to human health and lives and has deeply impacted socio-economic growth. Remarkable efforts have been made by the scientific community in containing the virus by successful development of vaccines and diagnostic kits. Initiatives towards drug repurposing and discovery have also been undertaken. In this study, we compiled the known natural anti-viral compounds using text mining of the literature and examined them against four major structural proteins of SARS-CoV-2, namely, spike (S) protein, nucleocapsid (N) protein, membrane (M) protein and envelope (E) protein. Following computational approaches, we identified fangchinoline and versicolactone C as the compounds to exhibit strong binding to the target proteins and causing structural deformation of three structural proteins (N, S and M). We recommend the inhibitory effects of these compounds from our study should be experimentally validated against SARS-CoV-2.Communicated by Ramaswamy H. Sarma.


Asunto(s)
COVID-19 , SARS-CoV-2 , Humanos , Factores de Transcripción , Antivirales/farmacología , Minería de Datos , Simulación del Acoplamiento Molecular , Inhibidores de Proteasas , Simulación de Dinámica Molecular
18.
Chem Asian J ; 17(17): e202200515, 2022 Sep 01.
Artículo en Inglés | MEDLINE | ID: mdl-35833469

RESUMEN

In this study, we report the polymorphism of six coordinated Sn(IV)- tetrabromophenyl porphyrins axially armed with fluorine-substituted phenolate ligands (structural formula [Sn(TBrPP)2+ (A- )2 ], where A is the axial ligand=3,5-difluoro phenol, compound 1). One form stabilizes in triclinic system (namely, 1α), and the other stabilizes in monoclinic system (namely, 1ß). The two 1α and 1ß polymorphs display distinct photophysical and morphological properties in the solid state. X-ray diffraction study reveals that these polymorphs 1α and 1ß significantly differ in their supramolecular architecture, different axial phenolate conformations, and noncovalent interactions, which are responsible for their distinct solid-state properties. The crystal packing of these polymorphs dominates by intermolecular C-H⋅⋅⋅F, C-H⋅⋅⋅π and C-Br⋅⋅⋅F interhalogen interactions. Furthermore, the solid-state emission spectra of 1α showed red-shifted emission bands with respect to 1ß, in addition the redox behavior of 1α is slightly different in comparison to 1ß. Complementary theoretical studies with Hirshfeld surface analysis show the definite role of Br⋅⋅⋅F interhalogen interactions in the overall stability. Mapping the electrostatic potential isosurfaces with the aid of density functional theory in compound 1 clearly shows the presence of σ-hole, a requisite feature to show halogen interactions in the crystalline state. In addition, lattice energy and single point energy calculation shows that 1α was found to be energetically more favorable and thermodynamically more stable compare to 1ß.


Asunto(s)
Porfirinas , Ligandos , Modelos Moleculares , Conformación Molecular , Porfirinas/química , Teoría Cuántica
19.
PLoS One ; 17(3): e0264523, 2022.
Artículo en Inglés | MEDLINE | ID: mdl-35245324

RESUMEN

BACKGROUND: Iron metabolism is crucial to maintain optimal physiological homeostasis of every organism and any alteration of the iron concentration (i.e. deficit or excess) can have adverse consequences. Transferrins are glycoproteins that play important role in iron transportation and have been widely characterized in vertebrates and insects, but poorly studied in blood-feeding mosquitoes. RESULTS: We characterized a 2102 bp long transcript AcTrf1a with complete CDS of 1872bp, and 226bp UTR region, encoding putative transferrin homolog protein from mosquito An. culicifacies. A detailed in silico analysis predicts AcTrf1a encodes 624 amino acid (aa) long polypeptide that carries transferrin domain. AcTrf1a also showed a putative N-linked glycosylation site, a characteristic feature of most of the mammalian transferrins and certain non-blood feeding insects. Structure modelling prediction confirms the presence of an iron-binding site at the N-terminal lobe of the transferrin. Our spatial and temporal expression analysis under altered pathophysiological conditions showed that AcTrf1a is abundantly expressed in the fat-body, ovary, and its response is significantly altered (enhanced) after blood meal uptake, and exogenous bacterial challenge. Additionally, non-heme iron supplementation of FeCl3 at 1 mM concentration not only augmented the AcTrf1a transcript expression in fat-body but also enhanced the reproductive fecundity of gravid adult female mosquitoes. RNAi-mediated knockdown of AcTrf1a causes a significant reduction in fecundity, confirming the important role of transferrin in oocyte maturation. CONCLUSION: All together our results advocate that detailed characterization of newly identified AcTrf1a transcript may help to select it as a unique target to impair the mosquito reproductive outcome.


Asunto(s)
Anopheles , Transferrina , Animales , Anopheles/fisiología , Femenino , Insectos/metabolismo , Hierro/metabolismo , Mamíferos/metabolismo , Transferrina/metabolismo , Transferrinas/metabolismo
20.
Cells ; 11(11)2022 05 31.
Artículo en Inglés | MEDLINE | ID: mdl-35681493

RESUMEN

The periodic ingestion of a protein-rich blood meal by adult female mosquitoes causes a drastic metabolic change in their innate physiological status, which is referred to as a 'metabolic switch'. While understanding the neural circuits for host-seeking is modestly attended, how the gut 'metabolic switch' modulates brain functions, and resilience to physiological homeostasis, remains unexplored. Here, through a comparative brain RNA-Seq study, we demonstrate that the protein-rich diet induces the expression of brain transcripts related to mitochondrial function and energy metabolism, possibly causing a shift in the brain's engagement to manage organismal homeostasis. A dynamic mRNA expression pattern of neuro-signaling and neuro-modulatory genes in both the gut and brain likely establishes an active gut-brain communication. The disruption of this communication through decapitation does not affect the modulation of the neuro-modulator receptor genes in the gut. In parallel, an unusual and paramount shift in the level of neurotransmitters (NTs), from the brain to the gut after blood feeding, further supports the idea of the gut's ability to serve as a 'second brain'. After blood-feeding, a moderate enrichment of the gut microbial population, and altered immunity in the gut of histamine receptor-silenced mosquitoes, provide initial evidence that the gut-microbiome plays a crucial role in gut-brain-axis communication. Finally, a comparative metagenomics evaluation of the gut microbiome highlighted that blood-feeding enriches the family members of the Morganellaceae and Pseudomonadaceae bacterial communities. The notable observation of a rapid proliferation of Pseudomonas bacterial sp. and tryptophan enrichment in the gut correlates with the suppression of appetite after blood-feeding. Additionally, altered NTs dynamics of naïve and aseptic mosquitoes provide further evidence that gut-endosymbionts are key modulators for the synthesis of major neuroactive molecules. Our data establish a new conceptual understanding of microbiome-gut-brain-axis communication in mosquitoes.


Asunto(s)
Anopheles , Microbioma Gastrointestinal , Animales , Bacterias/genética , Encéfalo/metabolismo , Comunicación Celular , Femenino , Microbioma Gastrointestinal/fisiología
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