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1.
Nonlinear Dyn ; 106(2): 1375-1395, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34511724

RESUMO

The coronavirus disease 2019 (COVID-19) pandemic has fatalized 216 countries across the world and has claimed the lives of millions of people globally. Researches are being carried out worldwide by scientists to understand the nature of this catastrophic virus and find a potential vaccine for it. The most possible efforts have been taken to present this paper as a form of contribution to the understanding of this lethal virus in the first and second wave. This paper presents a unique technique for the methodical comparison of disastrous virus dissemination in two waves amid five most infested countries and the death rate of the virus in order to attain a clear view on the behaviour of the spread of the disease. For this study, the data set of the number of deaths per day and the number of infected cases per day of the most affected countries, the USA, Brazil, Russia, India, and the UK, have been considered in the first and second waves. The correlation fractal dimension has been estimated for the prescribed data sets of COVID-19, and the rate of death has been compared based on the correlation fractal dimension estimate curve. The statistical tool, analysis of variance, has also been used to support the performance of the proposed method. Further, the prediction of the daily death rate has been demonstrated through the autoregressive moving average model. In addition, this study also emphasis a feasible reconstruction of the death rate based on the fractal interpolation function. Subsequently, the normal probability plot is portrayed for the original data and the predicted data, derived through the fractal interpolation function to estimate the accuracy of the prediction. Finally, this paper neatly summarized with the comparison and prediction of epidemic curve of the first and second waves of COVID-19 pandemic to visualize the transmission rate in the both times.

2.
J Biomol Struct Dyn ; 42(1): 483-494, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-36961221

RESUMO

Parkinson's disorder (PD) exacerbates neuronal degeneration of motor nerves, thereby effectuating uncoordinated movements and tremors. Aberrant alpha-synuclein (α-syn) is culpable of triggering PD, wherein cytotoxic amyloid aggregates of α-syn get deposited in motor neurons to instigate neuro-degeneration. Amyloid aggregates, typically rich in beta sheets are cardinal targets to mitigate their neurotoxic effects. In this analysis, owing to their interaction specificity, we formulated an efficacious tripeptide out of the aggregation-prone region of α-syn protein. With the help of a proficient computational pipeline, systematic peptide shortening and an adept molecular simulation platform, we formulated a tripeptide, VAV from α-syn structure based hexapeptide KISVRV. Indeed, the VAV tripeptide was able to effectively mitigate the α-syn amyloid fibrils' dynamic rate of beta-sheet formation. Additional trajectory analyses of the VAV- α-syn complex indicated that, upon its dynamic interaction, VAV efficiently altered the distinct pathogenic structural dynamics of α-syn, further advocating its potential in alleviating aberrant α-syn's amyloidogenic proclivities. Consistent findings from various computational analyses have led us to surmise that VAV could potentially re-alter the pathogenic conformational orientation of α-syn, essential to mitigate its cytotoxicity. Hence, VAV tripeptide could be an efficacious therapeutic candidate to efficiently ameliorate aberrant α-syn amyloid mediated neurotoxicity, eventually attenuating the nocuous effects of PD.Communicated by Ramaswamy H. Sarma.


Assuntos
Doença de Parkinson , alfa-Sinucleína , Humanos , alfa-Sinucleína/química , Doença de Parkinson/metabolismo , Agregados Proteicos , Agregação Patológica de Proteínas/tratamento farmacológico , Amiloide/química , Computadores
3.
J Inorg Biochem ; 257: 112580, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-38701694

RESUMO

Pincer type coumarin based N-substituted semicarbazone ligands HL1-4 and their corresponding ruthenium(II) complexes (1-4) were synthesized, analyzed and confirmed by various spectro analytical techniques. The molecular structure of the ligand HL3 and complex 3 was confirmed by single crystal X-ray diffraction analysis. The stoichiometry of complexes 1, 2 and 4 was confirmed by high resolution mass spectroscopy (HRMS). The binding affinity of the compounds with CT-DNA (Calf Thymus DNA) and BSA (Bovine Serum Albumin) was established by absorption and emission titration methods. The results of In vitro cytotoxicity showed the significant cytotoxic potential of the complexes against MDA-MB-231 cells (TNBC- Triple-negative breast cancer). Among the complexes, 1 and 4 have shown appreciable results. Further, antimigratory activity against the MDA-MB-231 cells was studied for the complexes 1 and 4. The percentage cell cycle arrest, apoptosis and necrosis were explored by flow cytometry. The in vivo anti-tumor activity of the complexes 1 and 4 using C. elegans as model organism was established by using the tumoral C. elegans strain JK1466 (gld-1(q485)), which bears a mutation in the gld-1 tumor suppressor gene. We have determined the effect of our complexes on tumor gonad reduction and found to be non toxic to the JK1466 worms and they have prolonged their mean lifespan with potential antioxidant ability by overcoming stress responses. Overall, our study reported herein demonstrated that the complexes 1 and 4 could be established as potential metallo-drugs substantiating further exploration.


Assuntos
Antineoplásicos , Caenorhabditis elegans , Complexos de Coordenação , Rutênio , Humanos , Animais , Complexos de Coordenação/farmacologia , Complexos de Coordenação/síntese química , Complexos de Coordenação/química , Rutênio/química , Rutênio/farmacologia , Caenorhabditis elegans/efeitos dos fármacos , Caenorhabditis elegans/genética , Caenorhabditis elegans/metabolismo , Antineoplásicos/farmacologia , Antineoplásicos/química , Antineoplásicos/síntese química , Linhagem Celular Tumoral , Apoptose/efeitos dos fármacos , Proteínas de Caenorhabditis elegans/metabolismo , Proteínas de Caenorhabditis elegans/genética , Fatores de Transcrição Forkhead/metabolismo , Fatores de Transcrição Forkhead/genética , Longevidade/efeitos dos fármacos , Feminino , Células MDA-MB-231
4.
J Inorg Biochem ; 257: 112593, 2024 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-38754275

RESUMO

Four Ru(II) complexes (A2-A5) were synthesized from the reaction of coumarin Schiff base ligands (7da2-tsc, 7da3-mtsc, 7da4-etsc and 7da5-ptsc) with [RuHCl(CO)(PPh3)3]. The compounds were characterized by FT-IR, UV-Vis, 1H, 13C and 31P NMR, mass spectrometry and crystallographic analysis. Calf Thymus DNA (CT-DNA) binding studies revealed the intercalative mode of binding of the complexes with DNA. The results of Bovine serum albumin (BSA) binding studies established the interaction between BSA followed static quenching mechanism. The cytotoxic effects of the complexes and the ligands were evaluated against breast (MCF-7 and MDA-MB-231) and lung carcinoma cell lines (A549 and NCI-H460) using MTT assay. Complex A4 demonstrated potent cytotoxic effects on both breast and lung cancer cells. Furthermore, morphological observations and FACS analysis showed the decrease in cell density by complex A4 by induced morphological changes and apoptotic body formation and cell death in both breast and lung cancer cells. Moreover, the invertebrate model Caenorhabditis elegans was employed to assess the in vivo anticancer activity of compound A4. The findings indicated that the treatment with A4 reduced tumor development and significantly extended organismal lifespan by 64 % in the tumoral strain JK1466 without adversely affecting essential physiological functions of the worm. Additionally, A4 demonstrated an upregulation of two crucial antioxidant defense genes. Overall, these results suggested that the compound A4 can be a potential candidate with novel chemotherapeutic applications.


Assuntos
Antineoplásicos , Caenorhabditis elegans , Complexos de Coordenação , Rutênio , Animais , Humanos , Antineoplásicos/farmacologia , Antineoplásicos/química , Antineoplásicos/síntese química , Rutênio/química , Caenorhabditis elegans/efeitos dos fármacos , Caenorhabditis elegans/genética , Caenorhabditis elegans/metabolismo , Complexos de Coordenação/farmacologia , Complexos de Coordenação/química , Complexos de Coordenação/síntese química , Linhagem Celular Tumoral , Mutação , Proteínas de Caenorhabditis elegans/genética , Proteínas de Caenorhabditis elegans/metabolismo , DNA/química , Células MCF-7
5.
Int J Low Extrem Wounds ; 21(3): 254-263, 2022 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-35188406

RESUMO

Pressure ulcer (PU) is one of the most common occurrences in bedridden subjects. Despite the standard of care, there is a huge challenge in monitoring immobile subjects in all the bodily pressure points. This increases the chance of onset of PU which in turn increases the expenditure for treating and managing the PU. Hence, we made a study on the biological and physiological factors that are responsible for the formation of PU and also on various techniques used for diagnosis. Thus, we have summarised the efficacy of various advanced diagnostic procedures with their limitations. Though there are advanced imaging techniques, risk assessment tools based on the visual inspection are widely followed in hospitals. Based on our observation, we here have identified three major areas; one being the development of mathematical modeling, the second is towards the development of non-invasive devices and finally to automate cot facility. We have also provided possible suggestions as to solutions that could be useful to researchers and for society. Thus, this review covers the present difficulty faced by bedridden subjects and respective care-takers along with the knowledge gap and a few suggestions as to future scope.


Assuntos
Úlcera por Pressão , Humanos , Úlcera por Pressão/diagnóstico , Úlcera por Pressão/etiologia
6.
Biomed Pharmacother ; 108: 1188-1200, 2018 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-30372820

RESUMO

BACKGROUND: Type 1 diabetes mellitus (T1DM) is an autoimmune disorder characterized by T cell-mediated self-destruction of insulin-secreting islet ß cells. Management of T1DM is challenging and complicated especially with conventional medications. Gene therapy has emerged as one of the potential therapeutic alternatives to treat T1DM. This review primarily focuses on the current status and the future perspectives of gene therapy in the management of T1DM. A vast number of the studies which are reported on gene therapy for the management of T1DM are done in animal models and in preclinical studies. In addition, the safety of such therapies is yet to be established in humans. Currently, there are several gene level interventions that are being investigated, notably, overexpression of genes and proteins needed against T1DM, transplantation of cells that express the genes against T1DM, stem-cells mediated gene therapy, genetic vaccination, immunological precursor cell-mediated gene therapy and vectors. METHODS: We searched the current literature through searchable online databases, journals and other library sources using relevant keywords and search parameters. Only relevant publications in English, between the years 2000 and 2018, with evidences and proper citations, were considered. The publications were then analyzed and segregated into several subtopics based on common words and content. A total of 126 studies were found suitable for this review. FINDINGS: Generally, the pros and cons of each of the gene-based therapies have been discussed based on the results collected from the literature. However, there are certain interventions that require further detailed studies to ensure their effectiveness. We have also highlighted the future direction and perspectives in gene therapy, which, researchers could benefit from.


Assuntos
Diabetes Mellitus Tipo 1/genética , Diabetes Mellitus Tipo 1/terapia , Terapia Genética , Animais , Ensaios Clínicos como Assunto , Diabetes Mellitus Tipo 1/prevenção & controle , Engenharia Genética , Humanos , Imunoterapia , Vacinação
8.
Environ Monit Assess ; 116(1-3): 263-73, 2006 May.
Artigo em Inglês | MEDLINE | ID: mdl-16779594

RESUMO

A pilot scale study was conducted to find out the different forms of metals if fly ash (FA) and bioaccumulation of these metals in the naturally growing vegetation on FA dumps. The total, acid extractable, bioavailable and water soluble fraction of metals of Fe, Cu, Mn, Zn, Ni, Co and Pb, and their bioaccumulation coefficients (BAC) on naturally growing vegetation were determined. FA samples had a neutral pH, low electrical conductivity, low organic C and trace amounts of N and P. The relative abundance of total metals in FA were found in the order Fe >Mn >Zn >Ni >Co>Cu. The concentration of bioavailable (DTPA) metals depend on the type and nature of coal used in thermal power stations. In the water the extract solution, only Fe and Zn were found above detection limits. After one year only four species of naturally occurring herbaceous vegetation were found growing and Cynodon dactylon (grass) covered almost entire surface of the FA. Iron accumulated to the greatest extent in vegetation followed by Mn, Zn, Cu, Pb, Ni and Co. The sequence of BAC for different metals were Fe (202)>Mn(90)>Zn (63)>Pb(49)>Ni(41)>Cu(24). The experimental study revealed that Cynodon grass could be used for remediation of fly ash without any amendments, as this grass species act as metal excluder type.


Assuntos
Carbono/química , Metais/farmacocinética , Material Particulado/química , Plantas/metabolismo , Disponibilidade Biológica , Cinza de Carvão , Metais/análise , Ácido Pentético/metabolismo , Projetos Piloto
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