Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 54
Filtrar
1.
Brief Bioinform ; 22(4)2021 07 20.
Artigo em Inglês | MEDLINE | ID: mdl-33316063

RESUMO

Erectile dysfunction (ED) can be caused by different diseases and controlled by several genetic networks. In this study, to identify the genes related to ED, the expression profiles of normal and ED samples were investigated by the Gene Expression Omnibus (GEO) database. Seventeen genes were identified as associated genes with ED. The protein and nucleic acid sequences of selected genes were retrieved from the UCSC database. Selected genes were diverse according to their physicochemical properties and functions. Category function revealed that selected genes are involved in pathways related to humans some diseases. Furthermore, based on protein interactions, genes associated with the insulin pathway had the greatest interaction with the studied genes. To identify the common cis-regulatory elements, the promoter site of the selected genes was retrieved from the UCSC database. The Gapped Local Alignment of Motifs tool was used for finding common conserved motifs into the promoter site of selected genes. Besides, INSR protein as an insulin receptor precursor showed a high potential site for posttranslation modifications, including phosphorylation and N-glycosylation. Also, in this study, two Guanine-Cytosine (GC)-rich regions were identified as conserved motifs in the upstream of studied genes which can be involved in regulating the expression of genes associated with ED. Also, the conserved binding site of miR-29-3p that is involved in various cancers was observed in the 3' untranslated region of genes associated with ED. Our study introduced new genes associated with ED, which can be good candidates for further analyzing related to human ED.


Assuntos
Regiões 3' não Traduzidas , Bases de Dados de Ácidos Nucleicos , Disfunção Erétil , Regulação da Expressão Gênica , Regiões Promotoras Genéticas , Disfunção Erétil/genética , Disfunção Erétil/metabolismo , Estudo de Associação Genômica Ampla , Humanos , Masculino
2.
Brief Bioinform ; 22(2): 1254-1266, 2021 03 22.
Artigo em Inglês | MEDLINE | ID: mdl-33024988

RESUMO

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is accountable for the cause of coronavirus disease (COVID-19) that causes a major threat to humanity. As the spread of the virus is probably getting out of control on every day, the epidemic is now crossing the most dreadful phase. Idiopathic pulmonary fibrosis (IPF) is a risk factor for COVID-19 as patients with long-term lung injuries are more likely to suffer in the severity of the infection. Transcriptomic analyses of SARS-CoV-2 infection and IPF patients in lung epithelium cell datasets were selected to identify the synergistic effect of SARS-CoV-2 to IPF patients. Common genes were identified to find shared pathways and drug targets for IPF patients with COVID-19 infections. Using several enterprising Bioinformatics tools, protein-protein interactions (PPIs) network was designed. Hub genes and essential modules were detected based on the PPIs network. TF-genes and miRNA interaction with common differentially expressed genes and the activity of TFs are also identified. Functional analysis was performed using gene ontology terms and Kyoto Encyclopedia of Genes and Genomes pathway and found some shared associations that may cause the increased mortality of IPF patients for the SARS-CoV-2 infections. Drug molecules for the IPF were also suggested for the SARS-CoV-2 infections.


Assuntos
COVID-19/complicações , Fibrose Pulmonar Idiopática/complicações , SARS-CoV-2/genética , COVID-19/genética , COVID-19/virologia , Conjuntos de Dados como Assunto , Células Epiteliais/virologia , Ontologia Genética , Genes Virais , Humanos , Pulmão/citologia , Pulmão/virologia , Transcriptoma
3.
Brief Bioinform ; 22(5)2021 09 02.
Artigo em Inglês | MEDLINE | ID: mdl-33847347

RESUMO

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), better known as COVID-19, has become a current threat to humanity. The second wave of the SARS-CoV-2 virus has hit many countries, and the confirmed COVID-19 cases are quickly spreading. Therefore, the epidemic is still passing the terrible stage. Having idiopathic pulmonary fibrosis (IPF) and chronic obstructive pulmonary disease (COPD) are the risk factors of the COVID-19, but the molecular mechanisms that underlie IPF, COPD, and CVOID-19 are not well understood. Therefore, we implemented transcriptomic analysis to detect common pathways and molecular biomarkers in IPF, COPD, and COVID-19 that help understand the linkage of SARS-CoV-2 to the IPF and COPD patients. Here, three RNA-seq datasets (GSE147507, GSE52463, and GSE57148) from Gene Expression Omnibus (GEO) is employed to detect mutual differentially expressed genes (DEGs) for IPF, and COPD patients with the COVID-19 infection for finding shared pathways and candidate drugs. A total of 65 common DEGs among these three datasets were identified. Various combinatorial statistical methods and bioinformatics tools were used to build the protein-protein interaction (PPI) and then identified Hub genes and essential modules from this PPI network. Moreover, we performed functional analysis under ontologies terms and pathway analysis and found that IPF and COPD have some shared links to the progression of COVID-19 infection. Transcription factors-genes interaction, protein-drug interactions, and DEGs-miRNAs coregulatory network with common DEGs also identified on the datasets. We think that the candidate drugs obtained by this study might be helpful for effective therapeutic in COVID-19.


Assuntos
COVID-19/complicações , Biologia Computacional/métodos , Fibrose Pulmonar Idiopática/complicações , Doença Pulmonar Obstrutiva Crônica/complicações , Biologia de Sistemas/métodos , Humanos , Mapas de Interação de Proteínas , SARS-CoV-2/isolamento & purificação
4.
Brief Bioinform ; 22(5)2021 09 02.
Artigo em Inglês | MEDLINE | ID: mdl-33709119

RESUMO

Discovering drug-target (protein) interactions (DTIs) is of great significance for researching and developing novel drugs, having a tremendous advantage to pharmaceutical industries and patients. However, the prediction of DTIs using wet-lab experimental methods is generally expensive and time-consuming. Therefore, different machine learning-based methods have been developed for this purpose, but there are still substantial unknown interactions needed to discover. Furthermore, data imbalance and feature dimensionality problems are a critical challenge in drug-target datasets, which can decrease the classifier performances that have not been significantly addressed yet. This paper proposed a novel drug-target interaction prediction method called PreDTIs. First, the feature vectors of the protein sequence are extracted by the pseudo-position-specific scoring matrix (PsePSSM), dipeptide composition (DC) and pseudo amino acid composition (PseAAC); and the drug is encoded with MACCS substructure fingerings. Besides, we propose a FastUS algorithm to handle the class imbalance problem and also develop a MoIFS algorithm to remove the irrelevant and redundant features for getting the best optimal features. Finally, balanced and optimal features are provided to the LightGBM Classifier to identify DTIs, and the 5-fold CV validation test method was applied to evaluate the prediction ability of the proposed method. Prediction results indicate that the proposed model PreDTIs is significantly superior to other existing methods in predicting DTIs, and our model could be used to discover new drugs for unknown disorders or infections, such as for the coronavirus disease 2019 using existing drugs compounds and severe acute respiratory syndrome coronavirus 2 protein sequences.


Assuntos
Biologia Computacional/métodos , Preparações Farmacêuticas/química , Proteínas/química , Conjuntos de Dados como Assunto , Aprendizado de Máquina , Ligação Proteica
5.
Brief Bioinform ; 22(2): 1451-1465, 2021 03 22.
Artigo em Inglês | MEDLINE | ID: mdl-33611340

RESUMO

This study aimed to identify significant gene expression profiles of the human lung epithelial cells caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infections. We performed a comparative genomic analysis to show genomic observations between SARS-CoV and SARS-CoV-2. A phylogenetic tree has been carried for genomic analysis that confirmed the genomic variance between SARS-CoV and SARS-CoV-2. Transcriptomic analyses have been performed for SARS-CoV-2 infection responses and pulmonary arterial hypertension (PAH) patients' lungs as a number of patients have been identified who faced PAH after being diagnosed with coronavirus disease 2019 (COVID-19). Gene expression profiling showed significant expression levels for SARS-CoV-2 infection responses to human lung epithelial cells and PAH lungs as well. Differentially expressed genes identification and integration showed concordant genes (SAA2, S100A9, S100A8, SAA1, S100A12 and EDN1) for both SARS-CoV-2 and PAH samples, including S100A9 and S100A8 genes that showed significant interaction in the protein-protein interactions network. Extensive analyses of gene ontology and signaling pathways identification provided evidence of inflammatory responses regarding SARS-CoV-2 infections. The altered signaling and ontology pathways that have emerged from this research may influence the development of effective drugs, especially for the people with preexisting conditions. Identification of regulatory biomolecules revealed the presence of active promoter gene of SARS-CoV-2 in Transferrin-micro Ribonucleic acid (TF-miRNA) co-regulatory network. Predictive drug analyses provided concordant drug compounds that are associated with SARS-CoV-2 infection responses and PAH lung samples, and these compounds showed significant immune response against the RNA viruses like SARS-CoV-2, which is beneficial in therapeutic development in the COVID-19 pandemic.


Assuntos
COVID-19/complicações , Hipertensão Pulmonar/complicações , SARS-CoV-2/isolamento & purificação , Algoritmos , Biomarcadores/metabolismo , COVID-19/metabolismo , COVID-19/virologia , Ontologia Genética , Humanos , Hipertensão Pulmonar/metabolismo , Armazenamento e Recuperação da Informação , MicroRNAs/metabolismo , Filogenia , Mapas de Interação de Proteínas , Fatores de Transcrição/metabolismo
6.
Curr Issues Mol Biol ; 44(8): 3552-3572, 2022 Aug 09.
Artigo em Inglês | MEDLINE | ID: mdl-36005140

RESUMO

Oral cancer (OC) is a serious health concern that has a high fatality rate. The oral cavity has seven kinds of OC, including the lip, tongue, and floor of the mouth, as well as the buccal, hard palate, alveolar, retromolar trigone, and soft palate. The goal of this study is to look into new biomarkers and important pathways that might be used as diagnostic biomarkers and therapeutic candidates in OC. The publicly available repository the Gene Expression Omnibus (GEO) was to the source for the collection of OC-related datasets. GSE74530, GSE23558, and GSE3524 microarray datasets were collected for analysis. Minimum cut-off criteria of |log fold-change (FC)| > 1 and adjusted p < 0.05 were applied to calculate the upregulated and downregulated differential expression genes (DEGs) from the three datasets. After that only common DEGs in all three datasets were collected to apply further analysis. Gene ontology (GO) and pathway analysis were implemented to explore the functional behaviors of DEGs. Then protein−protein interaction (PPI) networks were built to identify the most active genes, and a clustering algorithm was also implemented to identify complex parts of PPI. TF-miRNA networks were also constructed to study OC-associated DEGs in-depth. Finally, top gene performers from PPI networks were used to apply drug signature analysis. After applying filtration and cut-off criteria, 2508, 3377, and 670 DEGs were found for GSE74530, GSE23558, and GSE3524 respectively, and 166 common DEGs were found in every dataset. The GO annotation remarks that most of the DEGs were associated with the terms of type I interferon signaling pathway. The pathways of KEGG reported that the common DEGs are related to the cell cycle and influenza A. The PPI network holds 88 nodes and 492 edges, and CDC6 had the highest number of connections. Four clusters were identified from the PPI. Drug signatures doxorubicin and resveratrol showed high significance according to the hub genes. We anticipate that our bioinformatics research will aid in the definition of OC pathophysiology and the development of new therapies for OC.

7.
Sensors (Basel) ; 21(14)2021 Jul 11.
Artigo em Inglês | MEDLINE | ID: mdl-34300476

RESUMO

The Controller Area Network (CAN) bus works as an important protocol in the real-time In-Vehicle Network (IVN) systems for its simple, suitable, and robust architecture. The risk of IVN devices has still been insecure and vulnerable due to the complex data-intensive architectures which greatly increase the accessibility to unauthorized networks and the possibility of various types of cyberattacks. Therefore, the detection of cyberattacks in IVN devices has become a growing interest. With the rapid development of IVNs and evolving threat types, the traditional machine learning-based IDS has to update to cope with the security requirements of the current environment. Nowadays, the progression of deep learning, deep transfer learning, and its impactful outcome in several areas has guided as an effective solution for network intrusion detection. This manuscript proposes a deep transfer learning-based IDS model for IVN along with improved performance in comparison to several other existing models. The unique contributions include effective attribute selection which is best suited to identify malicious CAN messages and accurately detect the normal and abnormal activities, designing a deep transfer learning-based LeNet model, and evaluating considering real-world data. To this end, an extensive experimental performance evaluation has been conducted. The architecture along with empirical analyses shows that the proposed IDS greatly improves the detection accuracy over the mainstream machine learning, deep learning, and benchmark deep transfer learning models and has demonstrated better performance for real-time IVN security.


Assuntos
Aprendizado de Máquina , Redes Neurais de Computação , Eletricidade
8.
Cell Mol Biol (Noisy-le-grand) ; 66(7): 152-160, 2020 Oct 31.
Artigo em Inglês | MEDLINE | ID: mdl-33287935

RESUMO

With the advancement and development of sophisticated bioinformatics tools, the area of computational bioinformatics and systems biology analysis is expanding day by day. The bipolar or manic-depressive disorder might be characterized as one of the most crippling mental problems that affect the people of early age and grown-ups. The objective of the present study was to investigate the association between genetic mutations in the four above listed diseases and to create a Protein-protein interaction (PPI) network or common pathways. Firstly, we need to find out the genetic relationship between them. Thus it will help us to understand the genetic association between them and help to develop the drug design for all the diseases. Genes responsible for these diseases are gathered, pre-processed, processed and mining using python scripts. This exploration is expected to carry out further measurements in the field of drug structure and also contributes to the biological and biomedical sectors.


Assuntos
Transtorno Bipolar/tratamento farmacológico , Transtorno Bipolar/genética , Biologia Computacional , Descoberta de Drogas , Análise por Conglomerados , Interações Medicamentosas , Regulação da Expressão Gênica , Redes Reguladoras de Genes , Humanos , MicroRNAs/genética , MicroRNAs/metabolismo , Ligação Proteica , Mapas de Interação de Proteínas/genética , Fatores de Transcrição/metabolismo
9.
Appl Opt ; 59(8): 2225-2230, 2020 Mar 10.
Artigo em Inglês | MEDLINE | ID: mdl-32225784

RESUMO

We present a graphene-based optical leaky wave antenna (OLWA) with diamond-shaped perturbations. The leaky wave antenna is created by applying diamond-shaped graphene perturbations to a Si3N4 waveguide. The leaky wave behavior is observed by changing the graphene chemical potential. Results in the form of leakage power, normalized directivity, and reflectance, transmittance, leakage power, normalized directivity, and normalized E-field are presented. The half power beamwidth (HPBW) of 1.2° is achieved by this antenna. The reflectance and transmittance are in a very low wavelength range between 1.4 and 1.6 µm throughout. The leakage of power is more for the lower graphene chemical potential. The graphene-based design is also compared to a gold-based design and silicon-based design to show the leakage comparison. The designed graphene-based OLWA can be used in medical sensing devices.

10.
Appl Opt ; 57(10): 2426-2433, 2018 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-29714225

RESUMO

Ethanol is widely used in chemical industrial processes as well as in the food and beverage industry. Therefore, methods of detecting alcohol must be accurate, precise, and reliable. In this content, a novel Zeonex-based photonic crystal fiber (PCF) has been modeled and analyzed for ethanol detection in terahertz frequency range. A finite-element-method-based simulation of the PCF sensor shows a high relative sensitivity of 68.87% with negligible confinement loss of 7.79×10-12 cm-1 at 1 THz frequency and x-polarization mode. Moreover, the core power fraction, birefringence, effective material loss, dispersion, and numerical aperture are also determined in the terahertz frequency range. Owing to the simple fiber structure, existing fabrication methods are feasible. With the outstanding waveguiding properties, the proposed sensor can potentially be used in ethanol detection, as well as polarization-preserving applications of terahertz waves.


Assuntos
Etanol/análise , Tecnologia de Fibra Óptica/instrumentação , Espectroscopia Terahertz/instrumentação , Birrefringência , Simulação por Computador , Desenho de Equipamento , Modelos Teóricos , Radiação Terahertz , Espectroscopia Terahertz/métodos
11.
Appl Opt ; 56(12): 3477-3483, 2017 Apr 20.
Artigo em Inglês | MEDLINE | ID: mdl-28430216

RESUMO

In this paper, a novel polarization-maintaining single-mode photonic crystal fiber (PCF) has been suggested for terahertz (THz) transmission applications. The reported PCF has five layers of hexagonal cladding with two layers of porous core. The cladding and core territory of the PCF are constituted by circular and elliptical air cavities, accordingly acting as a dielectric medium. Different geometrical parameters of the proposed PCF including pitches and diameters of circular air holes with the major and minor axes of elliptical air cavities being varied with the optimized structure. Various effects on the proposed PCF such as eccentricity and porosity effects are also carefully investigated. The numerical process is investigated by one of the most popular methods, the finite element method (FEM). All numerical computational results have revealed the ultrahigh birefringence in the order of 1.19×10-02 as well as the ultralow bulk absorption material loss of 0.0689 cm-1 at the 1 THz activation frequency. Besides, the V-parameter is also investigated for checking the proposed fiber modality. The proposed single-mode porous core hexagonal PCF is expected to be useful for convenient broadband transmission and numerous applications in the areas of THz technology.

12.
IEEE Trans Nanobioscience ; 23(1): 42-50, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-37256816

RESUMO

This manuscript introduces a highly sensitive dual-core photonic crystal fiber (PCF) based multi-analyte surface plasmon resonance (SPR) sensor, possessing the ability to detect multiple analytes at once. A chemically stable thin plasmonic substance of gold (Au) layer, holding a thickness of 30 nm, is employed to the outer portion of the stated design that manifests a negative real permittivity. Moreover, an ultra-thin film of aluminum oxide (Al2O3) , having a thickness of 10 nm, is inserted into the exterior of the gold film to calibrate the resonance wavelength as well as magnify the coupling strength. The performance of the sensor is rigorously explored employing the finite element method (FEM), where numerical investigation confirms that the intended sensor model exhibits a peak amplitude sensitivity (AS) of 2606 RIU-1 , as well as a highest wavelength sensitivity (WS) of 20,000 nm/RIU. The achieved outcomes affirm that the sensor design can be conceivably applied in numerous biological; as well as biochemical analyte refractive index (RI) detection to realize the relevant significant applications in the visible to near-infrared (VNIR) region of 0.5 to [Formula: see text].


Assuntos
Óxido de Alumínio , Ressonância de Plasmônio de Superfície , Ouro , Vibração
13.
Int J Biol Markers ; 39(2): 118-129, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38410032

RESUMO

PURPOSE: Ultraviolet radiation causes skin cancer, but the exact mechanism by which it occurs and the most effective methods of intervention to prevent it are yet unknown. For this purpose, our study will use bioinformatics and systems biology approaches to discover potential biomarkers of skin cancer for early diagnosis and prevention of disease with applicable clinical treatments. METHODS: This study compared gene expression and protein levels in ultraviolet-mediated cultured keratinocytes and adjacent normal skin tissue using RNA sequencing data from the National Center for Biotechnology Information-Gene Expression Omnibus (NCBI-GEO) database. Then, pathway analysis was employed with a selection of hub genes from the protein-protein interaction (PPI) network and the survival and expression profiles. Finally, potential clinical biomarkers were validated by receiver operating characteristic (ROC) curve analysis. RESULTS: We identified 32 shared differentially expressed genes (DEGs) by analyzing three different subsets of the GSE85443 dataset. Skin cancer development is related to the control of several DEGs through cyclin-dependent protein serine/threonine kinase activity, cell cycle regulation, and activation of the NIMA kinase pathways. The cytoHubba plugin in Cytoscape identified 12 hub genes from PPI; among these 3 DEGs, namely, AURKA, CDK4, and PLK1 were significantly associated with survival (P < 0.05) and highly expressed in skin cancer tissues. For validation purposes, ROC curve analysis indicated two biomarkers: AURKA (area under the curve (AUC) value = 0.8) and PLK1 (AUC value = 0.7), which were in an acceptable range. CONCLUSIONS: Further translational research, including clinical experiments, teratogenicity tests, and in-vitro or in-vivo studies, will be performed to evaluate the expression of these identified biomarkers regarding the prognosis of skin cancer patients.


Assuntos
Biomarcadores Tumorais , Biologia Computacional , Melanoma , Raios Ultravioleta , Humanos , Melanoma/genética , Melanoma/metabolismo , Melanoma/patologia , Biomarcadores Tumorais/genética , Biomarcadores Tumorais/metabolismo , Biologia Computacional/métodos , Raios Ultravioleta/efeitos adversos , Prognóstico , Neoplasias Cutâneas/genética , Neoplasias Cutâneas/metabolismo , Neoplasias Cutâneas/patologia , Mapas de Interação de Proteínas/genética , Regulação Neoplásica da Expressão Gênica , Quinase 1 Polo-Like , Aurora Quinase A
14.
Diabetes Metab Syndr ; 18(8): 103111, 2024 Aug 27.
Artigo em Inglês | MEDLINE | ID: mdl-39217825

RESUMO

AIMS: The main objective of the current study is to investigate the pathways and therapeutic targets linked to stevioside in the management of T2D using computational approaches. METHODS: We collected RNA-seq datasets from NCBI, then employed GREIN to retrieve differentially expressed genes (DEGs). Computer-assisted techniques DAVID, STRING and NetworkAnalyst were used to explore common significant pathways and therapeutic targets associated with T2D and stevioside. Molecular docking and dynamics simulations were conducted to validate the interaction between stevioside and therapeutic targets. RESULTS: Gene ontology and KEGG analysis revealed that prostaglandin synthesis, IL-17 signaling, inflammatory response, and interleukin signaling were potential pathways targeted by stevioside in T2D. Protein-protein interactions (PPI) analysis identified six common hub proteins (PPARG, PTGS2, CXCL8, CCL2, PTPRC, and EDN1). Molecular docking results showed best binding of stevioside to PPARG (-8 kcal/mol) and PTGS2 (-10.1 kcal/mol). Finally, 100 ns molecular dynamics demonstrated that the binding stability between stevioside and target protein (PPARG and PTGS2) falls within the acceptable range. CONCLUSIONS: This study reveals that stevioside exhibits significant potential in controlling T2D by targeting key pathways and stably binding to PPARG and PTGS2. Further research is necessary to confirm and expand upon these significant computational results.

15.
Heliyon ; 10(17): e37280, 2024 Sep 15.
Artigo em Inglês | MEDLINE | ID: mdl-39296124

RESUMO

Background and aims: The single nucleotide polymorphisms (SNPs) in SLC30A8 gene have been recognized as contributing to type 2 diabetes (T2D) susceptibility and colorectal cancer. This study aims to predict the structural stability, and functional impacts on variations in non-synonymous SNPs (nsSNPs) in the human SLC30A8 gene using various computational techniques. Materials and methods: Several in silico tools, including SIFT, Predict-SNP, SNPs&GO, MAPP, SNAP2, PhD-SNP, PANTHER, PolyPhen-1,PolyPhen-2, I-Mutant 2.0, and MUpro, have been used in our study. Results: After data analysis, out of 336 missenses, the eight nsSNPs, namely R138Q, I141N, W136G, I349N, L303R, E140A, W306C, and L308Q, were discovered by ConSurf to be in highly conserved regions, which could affect the stability of their proteins. Project HOPE determines any significant molecular effects on the structure and function of eight mutated proteins and the three-dimensional (3D) structures of these proteins. The two pharmacologically significant compounds, Luzonoid B and Roseoside demonstrate strong binding affinity to the mutant proteins, and they are more efficient in inhibiting them than the typical SLC30A8 protein using Autodock Vina and Chimera. Increased binding affinity to mutant SLC30A8 proteins has been determined not to influence drug resistance. Ultimately, the Kaplan-Meier plotter study revealed that alterations in SLC30A8 gene expression notably affect the survival rates of patients with various cancer types. Conclusion: Finally, the study found eight highly deleterious missense nsSNPs in the SLC30A8 gene that can be helpful for further proteomic and genomic studies for T2D and colorectal cancer diagnosis. These findings also pave the way for personalized treatments using biomarkers and more effective healthcare strategies.

16.
Sci Rep ; 14(1): 12892, 2024 06 05.
Artigo em Inglês | MEDLINE | ID: mdl-38839785

RESUMO

Antimicrobials are molecules that prevent the formation of microorganisms such as bacteria, viruses, fungi, and parasites. The necessity to detect antimicrobial peptides (AMPs) using machine learning and deep learning arises from the need for efficiency to accelerate the discovery of AMPs, and contribute to developing effective antimicrobial therapies, especially in the face of increasing antibiotic resistance. This study introduced AMP-RNNpro based on Recurrent Neural Network (RNN), an innovative model for detecting AMPs, which was designed with eight feature encoding methods that are selected according to four criteria: amino acid compositional, grouped amino acid compositional, autocorrelation, and pseudo-amino acid compositional to represent the protein sequences for efficient identification of AMPs. In our framework, two-stage predictions have been conducted. Initially, this study analyzed 33 models on these feature extractions. Then, we selected the best six models from these models using rigorous performance metrics. In the second stage, probabilistic features have been generated from the selected six models in each feature encoding and they are aggregated to be fed into our final meta-model called AMP-RNNpro. This study also introduced 20 features with SHAP, which are crucial in the drug development fields, where we discover AAC, ASDC, and CKSAAGP features are highly impactful for detection and drug discovery. Our proposed framework, AMP-RNNpro excels in the identification of novel Amps with 97.15% accuracy, 96.48% sensitivity, and 97.87% specificity. We built a user-friendly website for demonstrating the accurate prediction of AMPs based on the proposed approach which can be accessed at http://13.126.159.30/ .


Assuntos
Peptídeos Antimicrobianos , Redes Neurais de Computação , Peptídeos Antimicrobianos/farmacologia , Peptídeos Antimicrobianos/química , Aprendizado de Máquina , Anti-Infecciosos/farmacologia , Aprendizado Profundo
17.
Micromachines (Basel) ; 14(6)2023 May 31.
Artigo em Inglês | MEDLINE | ID: mdl-37374757

RESUMO

To develop standard optical biosensors, the simulation procedure takes a lot of time. For reducing that enormous amount of time and effort, machine learning might be a better solution. Effective indices, core power, total power, and effective area are the most crucial parameters for evaluating optical sensors. In this study, several machine learning (ML) approaches have been applied to predict those parameters while considering the core radius, cladding radius, pitch, analyte, and wavelength as the input vectors. We have utilized least squares (LS), LASSO, Elastic-Net (ENet), and Bayesian ridge regression (BRR) to make a comparative discussion using a balanced dataset obtained with the COMSOL Multiphysics simulation tool. Furthermore, a more extensive analysis of sensitivity, power fraction, and confinement loss is also demonstrated using the predicted and simulated data. The suggested models were also examined in terms of R2-score, mean average error (MAE), and mean squared error (MSE), with all of the models having an R2-score of more than 0.99, and it was also shown that optical biosensors had a design error rate of less than 3%. This research might pave the way for machine learning-based optimization approaches to be used to improve optical biosensors.

18.
IEEE Trans Nanobioscience ; 22(3): 614-621, 2023 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-36383599

RESUMO

A graphene disk metasurface-inspired refractive index sensor (RIS) with a subwavelength structure is numerically investigated to enhance the functionality of flexible metasurface in the biosensor sector. The main aim behind the sensor development is to detect amino acids with high sensitivity. The results in form of transmittance and the electric field intensity are carried out to verify the sensor's performance. The optimal design of the proposed sensor is also obtained by varying several structural parameters such as glass-based substrate thickness, the inner radius of the graphene disk metasurface, and the angle of incidence. The proposed sensor is also wide-angle insensitive for the angle of incidence ranging from 0° to 60°. Furthermore, the sensor's attributes are analyzed based on numerous parameters with an achieved maximum sensitivity of 333.33 GHz/RIU, Figure of Merit (FOM) of 3.11 RIU-1, and Q-factor of 7.3 are achieved. As a result, these insights offered an enhanced direction for designing metasurface biosensors with a high Q-factor and FOM with high sensitivity for the detection of amino acids.


Assuntos
Aminoácidos , Grafite , Refratometria
19.
IEEE J Biomed Health Inform ; 27(2): 835-841, 2023 02.
Artigo em Inglês | MEDLINE | ID: mdl-35133971

RESUMO

Human skin disease, the most infectious dermatological ailment globally, is initially diagnosed by sight. Some clinical screening and dermoscopic analysis of skin biopsies and scrapings for accurate classification are medically compulsory. Classification of skin diseases using medical images is more challenging because of the complex formation and variant colors of the disease and data security concerns. Both the Convolution Neural Network (CNN) for classification and a federated learning approach for data privacy preservation show significant performance in the realm of medical imaging fields. In this paper, a custom image dataset was prepared with four classes of skin disease, a CNN model was suggested and compared with several benchmark CNN algorithms, and an experiment was carried out to ensure data privacy using a federated learning approach. An image augmentation strategy was followed to enlarge the dataset and make the model more general. The proposed model achieved a precision of 86%, 43%, and 60%, and a recall of 67%, 60%, and 60% for acne, eczema, and psoriasis. In the federated learning approach, after distributing the dataset among 1000, 1500, 2000, and 2500 clients, the model showed an average accuracy of 81.21%, 86.57%, 91.15%, and 94.15%. The CNN-based skin disease classification merged with the federated learning approach is a breathtaking concept to classify human skin diseases while ensuring data security.


Assuntos
Psoríase , Dermatopatias , Humanos , Dermatopatias/diagnóstico por imagem , Pele/diagnóstico por imagem , Psoríase/diagnóstico por imagem , Internet , Aprendizado de Máquina
20.
IEEE Rev Biomed Eng ; 16: 22-37, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-36197867

RESUMO

This century has introduced very deadly, dangerous, and infectious diseases to humankind such as the influenza virus, Ebola virus, Zika virus, and the most infectious SARS-CoV-2 commonly known as COVID-19 and have caused epidemics and pandemics across the globe. For some of these diseases, proper medications, and vaccinations are missing and the early detection of these viruses will be critical to saving the patients. And even the vaccines are available for COVID-19, the new variants of COVID-19 such as Delta, and Omicron are spreading at large. The available virus detection techniques take a long time, are costly, and complex and some of them generates false negative or false positive that might cost patients their lives. The biosensor technique is one of the best qualified to address this difficult challenge. In this systematic review, we have summarized recent advancements in biosensor-based detection of these pandemic viruses including COVID-19. Biosensors are emerging as efficient and economical analytical diagnostic instruments for early-stage illness detection. They are highly suitable for applications related to healthcare, wearable electronics, safety, environment, military, and agriculture. We strongly believe that these insights will aid in the study and development of a new generation of adaptable virus biosensors for fellow researchers.


Assuntos
Técnicas Biossensoriais , COVID-19 , Vírus , Infecção por Zika virus , Zika virus , Humanos , SARS-CoV-2 , Pandemias
SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA