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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.
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
3.
Zootaxa ; 4354(1): 1-68, 2017 Nov 27.
Artigo em Inglês | MEDLINE | ID: mdl-29245494

RESUMO

Species checklists enlist the species available within the defined geographical region and thus serve as essential input for developing conservation and management strategies. The fields of conservation biology and ecology confront the challenge of inflated biodiversity, attributed to non-recognition of taxonomic inconsistencies such as synonyms, alternate representation, emendations etc. Critical review of the checklists and distributional records of Phylum Echinodermata from Indian waters and subsequent validation of species names with World Register of Marine Species (WoRMS) database, revealed that the current literature included 236 incorrect entries comprising of 162 synonyms, 15 emendations, 5 nomina dubia, 1 nomen nudum, 40 species under alternate representation, 9 species with author misnomer, 1 subspecies and 1 unaccepted. The 226 species found to be mixed with valid names and a revised checklist was prepared. The revised and updated checklist holds 741 species of echinoderms comprising of 182 asteroids (24.56%), 70 crinoids (9.45%), 138 echinoids (18.62%), 179 holothuroids (24.16%) and 172 ophiuroids (23.21%), placed under 28 orders and 107 families. This paper discusses the cause for taxonomic inflation and argues that such taxonomic inconsistencies alter our interpretations of a species including its inaccurate distribution and, could possibly impede the country's conservation and management efforts.


Assuntos
Biodiversidade , Equinodermos , Animais , Bases de Dados Factuais , Ecologia , Índia
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