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1.
Top Curr Chem (Cham) ; 382(2): 14, 2024 Apr 26.
Artículo en Inglés | MEDLINE | ID: mdl-38671325

RESUMEN

Cancer is one of the major noncommunicable diseases, responsible for millions of deaths every year worldwide. Though various cancer detection and treatment modalities are available today, many deaths occur owing to its late-stage detection and metastatic nature. Noninvasive detection using luminescence-based imaging tools is considered one of the promising techniques owing to its low cost, high sensitivity, and brightness. Moreover, these tools are unique and valuable as they can detect even the slightest changes in the cellular microenvironment. To achieve this, a fluorescent probe with strong tumor uptake and high spatial and temporal resolution, especially with high water solubility, is highly demanded. Recently, several water-soluble molecules with emission windows in the visible (400-700 nm), first near-infrared (NIR-I, 700-1000 nm), and second near-infrared (NIR-II, 1000-1700 nm) windows have been reported in literature. This review highlights recently reported water-soluble small organic fluorophores/dyes with applications in cancer diagnosis and therapeutics. We systematically highlight and describe the key concepts, structural classes of fluorophores, strategies for imparting water solubility, and applications in cancer therapy and diagnosis, i.e., theragnostics. We discuss examples of water-soluble fluorescent probes based on coumarin, xanthene, boron-dipyrromethene (BODIPY), and cyanine cores. Some other emerging classes of dyes based on carbocyclic and heterocyclic cores are also discussed. Besides, emerging molecular engineering methods to obtain such fluorophores are discussed. Finally, the opportunities and challenges in this research area are also delineated.


Asunto(s)
Colorantes Fluorescentes , Neoplasias , Solubilidad , Agua , Colorantes Fluorescentes/química , Humanos , Neoplasias/diagnóstico por imagen , Neoplasias/diagnóstico , Agua/química , Imagen Óptica
2.
Int J Mol Sci ; 25(2)2024 Jan 15.
Artículo en Inglés | MEDLINE | ID: mdl-38256142

RESUMEN

To reduce the mortality and morbidity associated with cancer, new cancer theranostics are in high demand and are an emerging area of research. To achieve this goal, we report the synthesis and characterization of piperazine-linked 1,8-naphthalimide-arylsulfonyl derivatives (SA1-SA7). These compounds were synthesized in good yields following a two-step protocol and characterized using multiple analytical techniques. In vitro cytotoxicity and fluorescent cellular imaging of the compounds were assessed against non-cancerous fibroblast (3T3) and breast cancer (4T1) cell lines. Although the former study indicated the safe nature of the compounds (viability = 82-95% at 1 µg/mL), imaging studies revealed that the designed probes had good membrane permeability and could disperse in the whole cell cytoplasm. In silico studies, including molecular docking, molecular dynamics (MD) simulation, and ADME/Tox results, indicated that the compounds had the ability to target CAIX-expressing cancers. These findings suggest that piperazine-linked 1,8-naphthalimide-arylsulfonyl derivatives are potential candidates for cancer theranostics and a valuable backbone for future research.


Asunto(s)
Naftalimidas , Neoplasias , Humanos , Simulación del Acoplamiento Molecular , Piperazina , Imagen Molecular
3.
J Biomol Struct Dyn ; 42(3): 1381-1391, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-37071766

RESUMEN

Four new hybrid compounds (H1-H4) bearing pyrazole (S1 and S2) and chalcone (P1 and P2) fragments were synthesized and characterized. Compounds were assayed for their ability to inhibit the proliferation of human lung (A549) and colon (Caco-2) cancer cell lines. Besides, toxicity against normal cells was determined using the human umbilical vein endothelial cells (HUVEC). In silico molecular docking, molecular dynamics (MD) simulation and absorption, distribution, metabolism, excretion, and toxicity (ADMET) studies were carried out to predict the binding modes, protein stability, drug-likeness and toxicity of the reported compounds. The in vitro anticancer activity of the tested compounds revealed dose-dependent cell-specific cytotoxicity. In silico studies revealed that the compounds have a good binding affinity, possess appropriate drug-likeness properties and have low toxicity profiles.Communicated by Ramaswamy H. Sarma.


Asunto(s)
Antineoplásicos , Chalcona , Chalconas , Humanos , Simulación de Dinámica Molecular , Simulación del Acoplamiento Molecular , Estructura Molecular , Relación Estructura-Actividad , Chalconas/farmacología , Línea Celular Tumoral , Chalcona/farmacología , Células CACO-2 , Células Endoteliales , Antineoplásicos/química , Diseño de Fármacos , Proliferación Celular , Pirazoles/farmacología , Pirazoles/química
4.
Bioinformation ; 19(9): 901-907, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-37928494

RESUMEN

Increased amounts of toxicants may cause sever health issues in humans as well as in aquatic life. Scientists are developing new technologies to combat these problems. Biological methods of detoxification are always beneficial for the environment. Pseudomonas fluorescens is known for its detoxification capacity. In this study Pseudomonas fluorescens stains were isolated from different locations of the Ha'il region, Saudia Arabia. The microbial strain AM-1 displayed resistance to heavy metals (Cr6+, Ni2+, Cd2+, Pb2+) and pesticides (BHC, 2,4-D, Mancozeb) at pollutant levels typical of highly contaminated areas. Additionally, AM-1 exhibited substantial detoxification potential, reducing toxicity by 40.67% for heavy metals and 47.4% for pesticides at 3x concentrations. These findings suggest that the AM-1 strain supports environmental remediation and pollution mitigation. Atomic absorption spectrometry (AAS) results exhibited bioremediation efficiency for metals Cr6+, Ni2+, and Pb2+ using immobilized cells of P. fluorescens AM-1 isolate, estimated to be 60.57%, 68.4%, and 53.93% respectively. These findings show that AM-1 strain has a potential role in bioremediation of water pollutants and may have future implications in wastewater treatment.

5.
Int J Biol Macromol ; 252: 126456, 2023 Dec 01.
Artículo en Inglés | MEDLINE | ID: mdl-37633555

RESUMEN

This study evaluated the feasibility of using cactus mucilage (CM) to elaborate biobased composite films blended with styrene-butadiene rubber latex (SBL). The CM was extracted and precipitated with ethanol (CMET) and isopropanol (CMIS). Mucilage-based films were formulated using three levels of mucilage (4, 6, and 8 wt%). The microstructure, thickness, moisture content, density, water contact angle, water vapor permeability, film solubility, thermal stability, and toughness of mucilage films blended with SBL (SBL/CMET and SBL/CMIS) were measured. The properties of mucilage-based films varied systematically, depending on the concentration of mucilage. The addition of SBL to CM film produces compatible, hydrophobic, flexible, and stiffer films with low moisture contents and good barrier properties. The mucilage film incorporated with 6 wt% CMET and CMIS reached the highest Young's modulus of 1512 ± 21 and 1988 ± 55 MPa, respectively. The DSC of produced films reveals that the Tg of SBL/CMIS is lower than that of SBL/CMIS. The synthesized films were structurally stable at high temperatures. The biodegradability of the composite films buried in the ground shows that the produced films are 100 % biodegradable after 40 days. Thus, CM blended with SBL can benefit specific applications, especially food packaging.


Asunto(s)
Opuntia , Opuntia/química , Polisacáridos/química , Permeabilidad , Módulo de Elasticidad , Solubilidad
6.
Front Chem ; 11: 1138057, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-36936534

RESUMEN

Background: Dates palm (Phoenix dactylifera L.) fruits are among the most widely used fruits in the Middle East and African nations. Numerous researchers confirmed the presence of phytochemicals in P. dactylifera L. fruit and its by-products with broad-ranging biological activities. Objectives: In the present work, phytochemical and biological assessments of two different cultivars of date fruit (Shishi M1 and Majdool M2 grown in the Ha'il region of Saudi Arabia) have been carried out. Methods: Date fruits were extracted and analyzed by gas chromatography-mass spectrometry (GS-MS),liquid chromatography-mass spectrometry (LC-MS) and Fourier-transform infrared spectroscopy (FT-IR)techniques. The lyophilized methanolic extracts were analyzed for their in-vitro antiproliferative andcytotoxicity against colon cancer (HCT116) cell line. To identify the possible constituents responsible for the bioactivity, in-silico molecular docking and molecular dynamics (MD) simulation studies were carried out. Results: Both cultivars exhibited in-vitro anticancer activity (IC50 = 591.3 µg/mL and 449.9 µg/mL for M1 and M2, respectively) against colon cancer HCT-116 cells. The computational analysis results indicated procyanidin B2 and luteolin-7-O-rutinoside as the active constituents. Conclusion: Based on these results, we conclude that these cultivars could be a valuable source for developing health promoter phytochemicals, leading to the development of the Ha'il region, Saudi Arabia.

7.
Sci Total Environ ; 871: 162083, 2023 May 01.
Artículo en Inglés | MEDLINE | ID: mdl-36764546

RESUMEN

COVID-19 has accelerated the generation of healthcare (medical) waste throughout the world. Developing countries are the most affected by this hazardous and toxic medical waste due to poor management systems. In recent years, Bangladesh has experienced increasing medical waste generation with estimated growth of 3 % per year. The existing healthcare waste management in Bangladesh is far behind the sustainable waste management concept. To achieve an effective waste management structure, Bangladesh has to implement life cycle assessment (LCA) and circular economy (CE) concepts in this area. However, inadequate data and insufficient research in this field are the primary barriers to the establishment of an efficient medical waste management systen in Bangladesh. This study is introduced as a guidebook containing a comprehensive overview of the medical waste generation scenario, management techniques, Covid-19 impact from treatment to testing and vaccination, and the circular economy concept for sustainable waste management in Bangladesh. The estimated generation of medical waste in Bangladesh without considering the surge due to Covid-19 and other unusual medical emergencies would be approximately 50,000 tons (1.25 kg/bed/day) in 2025, out of which 12,435 tons were predicted to be hazardous waste. However, our calculation estimated that a total of 82,553, 168.4, and 2300 tons of medical waste was generated only from handling of Covid patients, test kits, and vaccination from March 2021 to May 2022. Applicability of existing guidelines, and legislation to handle the current situation and feasibility of LCA on medical waste management system to minimize environmental impact were scrutinized. Incineration with energy recovery and microwave sterilization were found to be the best treatment techniques with minimal environmental impact. A circular economy model with the concept of waste minimizaton, and value recovery was proposed for sustainable medical waste management. This study suggests proper training on healthcare waste management, proposing strict regulations, structured research allocation, and implementation of public-private partnerships to reduce, and control medical waste generation for creating a sustainable medical waste management system in Bangladesh.


Asunto(s)
COVID-19 , Residuos Sanitarios , Administración de Residuos , Humanos , Animales , Bangladesh/epidemiología , COVID-19/epidemiología , Administración de Residuos/métodos , Atención a la Salud , Estadios del Ciclo de Vida
8.
Sci Total Environ ; 865: 161297, 2023 Mar 20.
Artículo en Inglés | MEDLINE | ID: mdl-36592916

RESUMEN

Groundwater resources are one of the essential aspects of achieving self-sufficiency in a country's agricultural production, poverty alleviation, and socioeconomic development, particularly in agricultural heritage management and practices. In the Barind Tract in Bangladesh, groundwater levels have steadily declined due to growing irrigation demand. Surface water sources become scarce during the dry season, and groundwater levels fall to levels that make minimum cultivation challenging. In these circumstances, determining the current status of groundwater is key to any action in the future. This study investigated the existing geospatial pattern and critical zone of groundwater level in Chapainawabganj District, a significant area of the Barind Tract of Bangladesh, and predicted future groundwater levels considering multiple factors. Kriging, a sophisticated geostatistical method, was performed to examine the geographical pattern and groundwater variations, and time series analysis was employed to determine data trends and make future projections. The current study used groundwater level data from 23 monitoring stations over 10 years (2009-2018). Exponential, Gaussian, and Spherical models were cross-matched here for the best predictor model in four fitness measures to determine groundwater concentrations (RMSE, ME, RMSS, ASE), and Box-Jenkins ARIMA (3,1,0) was found best-fit for predictions, and variance estimation. Likewise, cross-validation has been assessed for the accuracy of anticipated results across spatial scales. Although more research is needed to identify the underlying mechanisms, critical zones, and their pattern of modification, possible recharge zones and their locations have been identified. Future groundwater levels, critical zones, and recharge locations have been indicated for the research area and potential recommendations.

9.
Molecules ; 27(19)2022 Sep 26.
Artículo en Inglés | MEDLINE | ID: mdl-36234859

RESUMEN

New Ni (II) and Cu (II) complexes with pyridoxal-semicarbazone were synthesized and their structures were solved by X-ray crystallography. This analysis showed the bis-ligand octahedral structure of [Ni(PLSC-H)2]·H2O and the dimer octahedral structure of [Cu(PLSC)(SO4)(H2O)]2·2H2O. Hirshfeld surface analysis was employed to determine the most important intermolecular interactions in the crystallographic structures. The structures of both complexes were further examined using density functional theory and natural bond orbital analysis. The photocatalytic decomposition of methylene blue in the presence of both compounds was investigated. Both compounds were active toward E. coli and S. aureus, with a minimum inhibition concentration similar to that of chloramphenicol. The obtained complexes led to the formation of free radical species, as was demonstrated in an experiment with dichlorofluorescein-diacetate. It is postulated that this is the mechanistic pathway of the antibacterial and photocatalytic activities. Cyclic voltammograms of the compounds showed the peaks of the reduction of metal ions. A molecular docking study showed that the Ni(II) complex exhibited promising activity towards Janus kinase (JAK), as a potential therapy for inflammatory diseases, cancers, and immunologic disorders.


Asunto(s)
Complejos de Coordinación , Semicarbazonas , Antibacterianos/farmacología , Cloranfenicol , Complejos de Coordinación/química , Cristalografía por Rayos X , Escherichia coli/metabolismo , Quinasas Janus/metabolismo , Ligandos , Azul de Metileno , Simulación del Acoplamiento Molecular , Estructura Molecular , Piridoxal , Staphylococcus aureus/metabolismo , Níquel , Cobre
10.
Polymers (Basel) ; 14(9)2022 May 02.
Artículo en Inglés | MEDLINE | ID: mdl-35567031

RESUMEN

Recycling plastic waste into valuable materials is one of the contemporary challenges. Every year around 50 million tons of polyethylene terephthalate (PET) bottles are used worldwide. The fact that only a part of this amount is being recycled is putting a burden on the environment. Therefore, a technology that can convert PET-based waste materials into useful ones is highly needed. In the present work, attempts have been made to convert PET-based waste materials into a precursor for others. We report an aminolysed product (3) obtained by aminolysis reaction of PET (1) with 1,2 diaminopropane (DAP, 2) under solvent and catalytic free conditions. The highest amount of monomeric product was obtained upon heating the mixture of diamine and PET at 130 °C. The resulting aminolysed product was then converted to a Schiff-base (5) in 25% yield. The chemical structure of the synthesized compounds was confirmed using multi-spectroscopic techniques. The results of this study will be a valuable addition to the growing body of work on plastic recycling.

11.
Molecules ; 27(6)2022 Mar 14.
Artículo en Inglés | MEDLINE | ID: mdl-35335232

RESUMEN

Garlic has been reported to inhibit protein glycation, a process that underlies several disease processes, including chronic complications of diabetes mellitus. Biophysical, biochemical, and molecular docking investigations were conducted to assess anti-glycating, antioxidant, and protein structural protection activities of garlic. Results from spectral (UV and fluorescence) and circular dichroism (CD) analysis helped ascertain protein conformation and secondary structure protection against glycation to a significant extent. Further, garlic showed heat-induced protein denaturation inhibition activity (52.17%). It also inhibited glycation, advanced glycation end products (AGEs) formation as well as lent human serum albumin (HSA) protein structural stability, as revealed by reduction in browning intensity (65.23%), decrease in protein aggregation index (67.77%), and overall reduction in cross amyloid structure formation (33.26%) compared with positive controls (100%). The significant antioxidant nature of garlic was revealed by FRAP assay (58.23%) and DPPH assay (66.18%). Using molecular docking analysis, some of the important garlic metabolites were investigated for their interactions with the HSA molecule. Molecular docking analysis showed quercetin, a phenolic compound present in garlic, appears to be the most promising inhibitor of glucose interaction with the HSA molecule. Our findings show that garlic can prevent oxidative stress and glycation-induced biomolecular damage and that it can potentially be used in the treatment of several health conditions, including diabetes and other inflammatory diseases.


Asunto(s)
Ajo , Antioxidantes/metabolismo , Antioxidantes/farmacología , Ajo/química , Productos Finales de Glicación Avanzada/metabolismo , Glicosilación , Humanos , Simulación del Acoplamiento Molecular
12.
Bioresour Technol ; 352: 127036, 2022 May.
Artículo en Inglés | MEDLINE | ID: mdl-35331885

RESUMEN

Microbes recycling nutrient and detoxifying ecosystems are capable to fulfil the future energy need by producing biohydrogen by due to the coupling of autotrophic and heterotrophic microbes. In granules microbes mutualy exchanging nutrients and electrons for hydrogen production. The consortial biohydrogen production depend upon constituent microbes, their interdependence, competition for resources, and other operating parameters while remediating a waste material in nature or bioreactor. The present review deals with development of granular algae-bacteria consortia, hydrogen yield in coculture, important enzymes and possible engineering for improved hydrogen production.


Asunto(s)
Biocombustibles , Hidrógeno , Bacterias , Reactores Biológicos , Ecosistema , Hidrógeno/análisis
13.
Environ Geochem Health ; 44(10): 3687-3702, 2022 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-34697724

RESUMEN

The aim of this a pioneering research is to investigate linear alkylbenzenes (LABs) as biomarkers of sewage pollution in sediments collected from four rivers and estuaries of the south and east of Peninsular Malaysia. The sediment samples went through soxhlet extraction, two-step column chromatography purification, fractionation and gas chromatography-mass spectrometry (GC-MS) analysis. Principal component analysis (PCA) with multivariate linear regression (MLR) was used as well for source apportionment of LABs. The results of this study showed that total LAB concentration was 36-1196 ng g-1dw. The internal to external isomer ratios (I/E ratio) of LABs were from 0.56 to 3.12 indicated release of raw sewage and primary and secondary effluents into the environment of south and east of Peninsular Malaysia. Our research supported that continuous monitoring of sewage pollution to limit the environmental pollution in riverine and estuarine ecosystem.


Asunto(s)
Sedimentos Geológicos , Contaminantes Químicos del Agua , Benceno/análisis , Derivados del Benceno/análisis , Biomarcadores , Ecosistema , Monitoreo del Ambiente/métodos , Sedimentos Geológicos/química , Malasia , Ríos , Aguas del Alcantarillado/química , Contaminantes Químicos del Agua/análisis
14.
Front Oncol ; 11: 706586, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-34322393

RESUMEN

Advanced stage cancers are aggressive and difficult to treat with mono-therapeutics, substantially decreasing patient survival rates. Hence, there is an urgent need to develop unique therapeutic approaches to treat cancer with superior potency and efficacy. This study investigates a new approach to develop a potent combinational therapy to treat advanced stage leukemia. Biologically active α-amino amide analogs (RS)-N-(2-(cyclohexylamino)-2-oxo-1-phenylethyl)-N-phenylpropiolamide (α-AAA-A) and (RS)-N-(2-(cyclohexylamino)-2-oxo-1-phenylethyl)-N-phenylbut2-enamide (α-AAA-B) were synthesized using linear Ugi multicomponent reaction. Cytotoxicities and IC50 values of α-AAA-A and α-AAA-B against leukemia cancer cell lines (HL-60 and K562) were analyzed though MTT assay. Cytotoxic assay analyzed percent killing of leukemia cell lines due to the effect of γδ T cells alone or in combination with α-AAA-A or α-AAA-B. Synthesized biologically active molecule α-AAA-A exhibited increased cytotoxicity of HL-60 (54%) and K562 (44%) compared with α-AAA-B (44% and 36% respectively). Similarly, α-AAA-A showed low IC50 values for HL-60 (1.61 ± 0.11 µM) and K562 (3.01 ± 0.14 µM) compared to α-AAA-B (3.12 ± 0.15 µM and 6.21 ± 0.17 µM respectively). Additive effect of amide analogs and γδ T cells showed significantly high leukemia cancer cell killing as compared to γδ T cells alone. A unique combinational therapy with γδ T cells and biologically active anti-cancer molecules (α-AAA-A/B), concomitantly may be a promising cancer therapy.

15.
Bioinformation ; 17(3): 460-469, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-34092966

RESUMEN

Human Vg9/Vδ2 T cells (γδ T cells) are immune surveillance cells both in innate and adaptive immunity and are a possible target for anticancer therapies, which can induce immune responses in a variety of cancers. Small non-peptide antigens such as zoledronate can do activation and expansion of T cells in vitro. It is evident that for adoptive cancer therapies, large numbers of functional cells are needed into cancer patients. Hence, optimization of methods needs to be carried out for the efficient expansion of these T cells. Standardization of peripheral blood mononuclear cells (PBMCs) isolation was devised. Cytokines (interleukin 2 (IL-2) and interleukin 15 (IL-15)) and zoledronate were also standardized for different concentrations. It was found that an increased number of PBMCs were recovered when washing was done at 1100 revolution per minute (rpm). Significantly high expansion fold was (2524 ± 787 expansion fold) achieved when stimulation of PBMCs was done with 1 µM of zoledronate and both cytokines IL-2 and IL-15 supported the expansion and survival of cells at the concentrations of 100 IU/ml and 10 ng/ml respectively. 14-day cultures showed highly pure (91.6 ± 5.1%) and live (96.5 ± 2.5%) expanded γδ T cells. This study aimed to standardize an easy to manipulate technique for the expansion of γδ T cells, giving a higher yield.

16.
Bioinformation ; 17(7): 673-679, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-35283582

RESUMEN

Mono-therapeutics is rarely effective as a treatment option, which limits the survival of patients in advanced grade aggressive cancers. Combinational therapeutics (multiple drugs for multiple targets) to combat cancer is gaining momentum in recent years. Hence, it is of interest to document known data for combinational therapeutics in cancer treatment. An amalgamation of therapeutic agents enhances the efficacy and potency of the therapy. Combinational therapy can potentially target multiple pathways that are necessary for the cancer cells to proliferate, and/or target molecules, which may help cancer to become more aggressive and metastasize. In this review, we discuss combinational therapeutics, which include human γδ T cells in combinations with biologically active anti-cancer molecules, which synergistically may produce promising combinational therapeutics.

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