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1.
Heliyon ; 10(15): e32193, 2024 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-39170580

RESUMO

The desire to increase resource management efficacy in the construction sector is expanding because of measures to reduce costs, boost productivity, and minimize environmental impact. The Internet of Things (IoT) has the potential to alter resource management in the construction sector by delivering real-time data and insights that may assist decision-makers in optimizing resource allocation and usage. Incorporating Internet of Things (IoT) technology into the construction sector will be investigated in this study to discover how resource management is affected. The aim of the study is to identify the essential aspects that promote optimal IoT integration and to investigate how IoT may influence resource management. The relations between variables and their fundamental elements are investigated using structural equation modelling (SEM). In the context of building projects, the study analyses how IoT integration influences resource allocation and utilization, real-time monitoring, and proactive maintenance. The building sector in Malaysia provides concepts on IoT in resource management. Based on this research's outcomes, there is a distinct association between the utilization of IoT technology and effective resource management in the construction sector. IoT adoption is affected by a multiplicity of issues, including data analytics, data security and privacy, integration and interoperability, scalability, and flexibility. This study contributes to addressing considerable gaps in the corpus of information on IoT technology integration in the construction sector. It analyses how IoT may effect resource management, emphasizing how IoT technology may enhance the efficacy of human, mechanical, and material resources.

2.
Int J Biol Macromol ; 234: 123540, 2023 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-36740128

RESUMO

SARS-CoV-2 Main protease (Mpro) is a well-known drug target against SARS-CoV-2 infection. Identification of Mpro inhibitors is vigorously pursued due to its crucial role in viral replication. The present study was aimed to identify Mpro inhibitors via repurposing of US-FDA approved drugs by STD-NMR spectroscopy. In this study, 156 drugs and natural compounds were evaluated against Mpro. Among them, 10 drugs were found to be interacting with Mpro, including diltiazem HCl (1), mefenamic acid (2), losartan potassium (3), mexiletine HCl (4), glaucine HBr (5), trimebutine maleate (6), flurbiprofen (7), amantadine HCl (8), dextromethorphan (9), and lobeline HCl (10) in STD-NMR spectroscopy. Their interactions were compared with three standards (Repurposed anti-viral drugs), dexamethasone, chloroquine phosphate, and remdesivir. Thermal stability of Mpro and dissociation constant (Kd) of six interacting drugs were also determined using DSF. RMSD plots in MD simulation studies showed the formation of stable protein-ligand complexes. They were further examined for their antiviral activity by plaque reduction assay against SARS-CoV-2, which showed 55-100% reduction in viral plaques. This study demonstrates the importance of drug repurposing against emerging and neglected diseases. This study also exhibits successful application of STD-NMR spectroscopy combined with plaque reduction assay in rapid identification of potential anti-viral agents.


Assuntos
Antivirais , COVID-19 , Humanos , Antivirais/farmacologia , Antivirais/química , SARS-CoV-2 , Reposicionamento de Medicamentos , Inibidores de Proteases/farmacologia , Inibidores de Proteases/química , Simulação de Acoplamento Molecular , Simulação de Dinâmica Molecular
3.
RSC Adv ; 13(1): 355-369, 2022 Dec 19.
Artigo em Inglês | MEDLINE | ID: mdl-36605638

RESUMO

The rapid spread of dengue virus has now emerged as a major health problem worldwide, particularly in tropical and sub-tropical regions. Nearly half of the human population is at risk of getting infection. Among the proteomes of dengue virus, nonstructural protein NS5 is conserved across the genus Flavivirus. NS5 comprises methyltransferase enzyme (MTase) domain, which helps in viral RNA capping, and RNA-dependent RNA polymerase (RdRp) domain, which is important for the virus replication. Negative modulation of NS5 decreases its activity and associated functions. Despite recent advances, there is still an immense need for effective approaches toward drug discovery against dengue virus. Drug repurposing is an approach to identify the new therapeutic indications of already approved drugs, for the treatment of both common and rare diseases, and can potentially lower the cost, and time required for drug discovery and development. In this study, we evaluated 75 compounds (grouped into 15 mixtures), including 13 natural compounds and 62 drugs, by using biophysical methods, for their ability to interact with NS5 protein, which were further validated by molecular docking and simulation studies. Our current study led to the identification of 12 ligands, including both 9 US-FDA approved drugs and 3 natural products that need to be further studied as potential antiviral agents against dengue virus.

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