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1.
J Biomol Struct Dyn ; 41(4): 1424-1436, 2023 03.
Artigo em Inglês | MEDLINE | ID: mdl-34963406

RESUMO

The main objective of the present study is to isolate and characterise the novel bioactive molecule, 2-methoxy mucic acid (4) from Rhizophora apiculate Blume under the Rhizophoraceae family. In this study, the 2-methoxy mucic acid (4) was isolated for the first time from the methanolic extract of the leaves of R. apiculata. Anticancer activity of 2-methoxy mucic acid (4) was evaluated against HeLa and MDA-MB-231 cancer cell lines and they displayed promising activity with IC50 values of 22.88283 ± 0.72 µg/ml in HeLa and 2.91925 ± 0.52 µg/ml in the case of MDA-MB-231, respectively. Furthermore, the antioxidant property of 2-methoxy mucic acid (4) was found to be (IC50) 21.361 ± 0.41 µg/ml. Apart from in vitro studies, we also performed extensive in silico studies (molecular docking and molecular dynamics simulation) on four critical antiapoptotic Bcl-2 family members (Bcl-2, Bcl-w, Bcl-xL and Bcl-B) towards 2-methoxy mucic acid (4). The results revealed that this molecule showed higher binding affinity towards Bcl-B protein (ΔG = -5.8 kcal/mol) and the structural stability of this protein was significantly improved upon binding of this molecule. The present study affords vital insights into the importance of 2-methoxy mucic acid (4) from R. apiculata. Furthermore, it opens the therapeutic route for the discovery of anticancer drugs. Research HighlightsThis is a first report on a bioactive compound identified and characterised; a novel 2-methoxy mucic acid derived from methanolic crude extract from the leaves of R. apiculata from ANI.Estimated binding free energy of 2-methoxy mucic acid is found to be -5.8 kcal/mol to the anti-apoptotic Bcl-B protein.2-methoxy mucic acid showed both significant anti-cancer and anti-oxidant activity.Communicated by Ramaswamy H. Sarma.


Assuntos
Antioxidantes , Rhizophoraceae , Antioxidantes/farmacologia , Rhizophoraceae/química , Rhizophoraceae/metabolismo , Extratos Vegetais/farmacologia , Extratos Vegetais/química , Simulação de Acoplamento Molecular , Proteínas Proto-Oncogênicas c-bcl-2/metabolismo , Proteínas Reguladoras de Apoptose/metabolismo , Metanol
2.
Radiat Prot Dosimetry ; 195(2): 83-91, 2021 Sep 08.
Artigo em Inglês | MEDLINE | ID: mdl-34355247

RESUMO

One hundred forty-eight water samples were collected from in and around Chennai and 222Rn concentrations were measured using radon emanometry method. The average 222Rn concentration was estimated to be 6.88, 2.01, 1.17, 0.19 and 0.10 Bq L-1 for borewell water, openwell water, tank water, metro water and lake water, respectively, which were within the U.S. Environmental Protection Agency's (USEPA) Standard limit of 11.1 Bq L-1 and World Health Organization (WHO) global average 10 Bq L-1. The total effective dose obtained has varied from 0 to 157.57 µSv y-1 with ±10% standard deviation. The mean values were 19.608, 8.092, 4.692, 0.761 and 0.423 µSv y-1 for closed borewell, open well water, tank water, metro water and for lake water, respectively. All these values were below the reference point 0.1 mSv y-1 (100 µSv y-1) set by WHO.


Assuntos
Água Potável , Água Subterrânea , Monitoramento de Radiação , Radônio , Poluentes Radioativos da Água , Água Potável/análise , Índia , Saúde Pública , Radônio/análise , Estados Unidos , Poluentes Radioativos da Água/análise
3.
Ambio ; 48(2): 192-212, 2019 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-29855893

RESUMO

The impacts of climate change are of particular concern to the coastal region of tropical countries like India, which are exposed to cyclones, floods, tsunami, seawater intrusion, etc. Climate-change adaptation presupposes comprehensive assessment of vulnerability status. Studies so far relied either on remote sensing-based spatial mapping of physical vulnerability or on certain socio-economic aspects with limited scope for upscaling or replication. The current study is an attempt to develop a holistic and robust framework to assess the vulnerability of coastal India at different levels. We propose and estimate cumulative vulnerability index (CVI) as a function of exposure, sensitivity and adaptive capacity, at the village level, using nationally comparable and credible datasets. The exposure index (EI) was determined at the village level by decomposing the spatial multi-hazard maps, while sensitivity (SI) and adaptive capacity indices (ACI) were estimated using 23 indicators, covering social and economic aspects. The indicators were identified through the literature review, expert consultations, opinion survey, and were further validated through statistical tests. The socio-economic vulnerability index (SEVI) was constructed as a function of sensitivity and adaptive capacity for planning grassroot-level interventions and adaptation strategies. The framework was piloted in Sindhudurg, a coastal district in Maharashtra, India. It comprises 317 villages, spread across three taluks viz., Devgad, Malvan and Vengurla. The villages in Sindhudurg were ranked based on this multi-criteria approach. Based on CVI values, 92 villages (30%) in Sindhudurg were identified as highly vulnerable. We propose a decision tool for identifying villages vulnerable to changing climate, based on their level of sensitivity and adaptive capacity in a two-dimensional matrix, thus aiding in planning location-specific interventions. Here, vulnerability indicators are classified and designated as 'drivers' (indicators with significantly high values and intervention priority) and 'buffers' (indicators with low-to-moderate values) at the village level. The framework provides for aggregation or decomposition of CVI and other sub-indices, in order to plan spatial contingency plans and enable swift action for climate adaptation.


Assuntos
Mudança Climática , Tempestades Ciclônicas , Tomada de Decisões , Inundações , Índia
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