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  1. Article: In silico and in vitro approaches to evaluate the bioactivities of Chaetomorpha linum

    Gayathiri, Ekambaram / Mahalakshmi, Periyasamy / Pratheep, Thangaraj / Prakash, Palanisamy / Selvam, Kuppusamy / Manivasagaperumal, Rengarajan / Ragunathan, Manikkavalli Gurunathan / Jayanthi, Jayaprakash / Kumaravel, Priya

    SAAB South African journal of botany. 2022 June 30,

    2022  

    Abstract: Seaweeds are rich in bioactive metabolites that could be used to develop new natural compounds in the pharmaceutical and cosmetic industries. The secondary metabolites, antioxidants, ADMET, Molecular docking and anticancer agents are investigated in the ... ...

    Abstract Seaweeds are rich in bioactive metabolites that could be used to develop new natural compounds in the pharmaceutical and cosmetic industries. The secondary metabolites, antioxidants, ADMET, Molecular docking and anticancer agents are investigated in the present study. The current research shows that seaweed, Chaetomorpha linum is vital source of natural antioxidants, which confirmed by free radical scavenging activity, DPPH, total phenolic and flavonoid content. The enzyme maximum inhibition of Glutathione respectively. It is noteworthy that glucoside action is dominant over the amylase enzyme. The anti-cancer activity of ethanol extracts showed the IC₅₀ values 72.8 μg/mL⁻¹ for MCF-7, respectively. The identified phytocompound absorption, distribution, metabolism and excretion assessed by SWISS ADME/T, it provides information about Human intestinal absorption and blood–brain barrier permeability. In addition, phytocompounds interaction with protein was confirmed by molecular docking. The protein 3ERT interaction of compounds 3 (-7.97 kcal/mol), compound 4 (-8.36 kcal/mol) and compound 2 (2,4-Di-tert-butylphenol -6.96 kcal/mol) provides high binding energy in comparison to other proteins. Hence, the present studies indicate that antioxidant, anti- diabetic and anticancer activity of ethanol extract as an alternative to the existing therapeutic approach to diabetic and cancer through a systematic in vitro and in silico approaches supplementing the findings.
    Keywords Chaetomorpha ; absorption ; amylases ; antineoplastic activity ; blood-brain barrier ; computer simulation ; energy ; ethanol ; excretion ; flavonoids ; free radicals ; glucosides ; glutathione ; humans ; intestinal absorption ; macroalgae ; metabolism ; permeability ; secondary metabolites ; therapeutics
    Language English
    Dates of publication 2022-0630
    Publishing place Elsevier B.V.
    Document type Article
    Note Pre-press version
    ZDB-ID 2126918-X
    ISSN 0254-6299
    ISSN 0254-6299
    DOI 10.1016/j.sajb.2022.06.067
    Database NAL-Catalogue (AGRICOLA)

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  2. Article ; Online: Computational approaches for modeling and structural design of biological systems: A comprehensive review.

    Gayathiri, Ekambaram / Prakash, Palanisamy / Kumaravel, Priya / Jayaprakash, Jayanthi / Ragunathan, Manikkavalli Gurunathan / Sankar, Sharmila / Pandiaraj, Saravanan / Thirumalaivasan, Natesan / Thiruvengadam, Muthu / Govindasamy, Rajakumar

    Progress in biophysics and molecular biology

    2023  Volume 185, Page(s) 17–32

    Abstract: The convergence of biology and computational science has ushered in a revolutionary era, revolutionizing our understanding of biological systems and providing novel solutions to global problems. The field of genetic engineering has facilitated the ... ...

    Abstract The convergence of biology and computational science has ushered in a revolutionary era, revolutionizing our understanding of biological systems and providing novel solutions to global problems. The field of genetic engineering has facilitated the manipulation of genetic codes, thus providing opportunities for the advancement of innovative disease therapies and environmental enhancements. The emergence of bio-molecular simulation represents a significant advancement in this particular field, as it offers the ability to gain microscopic insights into molecular-level biological processes over extended periods. Biomolecular simulation plays a crucial role in advancing our comprehension of organismal mechanisms by establishing connections between molecular structures, interactions, and biological functions. The field of computational biology has demonstrated its significance in deciphering intricate biological enigmas through the utilization of mathematical models and algorithms. The process of decoding the human genome has resulted in the advancement of therapies for a wide range of genetic disorders, while the simulation of biological systems contributes to the identification of novel pharmaceutical compounds. The potential of biomolecular simulation and computational biology is vast and limitless. As the exploration of the underlying principles that govern living organisms progresses, the potential impact of this understanding on cancer treatment, environmental restoration, and other domains is anticipated to be transformative. This review examines the notable advancements achieved in the field of computational biology, emphasizing its potential to revolutionize the comprehension and enhancement of biological systems.
    MeSH term(s) Humans ; Models, Biological ; Computational Biology/methods ; Computer Simulation ; Models, Theoretical ; Genetic Engineering
    Language English
    Publishing date 2023-10-09
    Publishing country England
    Document type Journal Article ; Review
    ZDB-ID 209302-9
    ISSN 1873-1732 ; 0079-6107
    ISSN (online) 1873-1732
    ISSN 0079-6107
    DOI 10.1016/j.pbiomolbio.2023.08.002
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Uc I Zs.281: Show issues Location:
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    bis Jg. 2021: Bestellungen von Artikeln über das Online-Bestellformular
    ab Jg. 2022: Lesesaal (EG)

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  3. Article ; Online: Plant microbe based remediation approaches in dye removal: A review.

    Gayathiri, Ekambaram / Prakash, Palanisamy / Selvam, Kuppusamy / Awasthi, Mukesh Kumar / Gobinath, Ravindran / Karri, Rama Rao / Ragunathan, Manikkavalli Gurunathan / Jayanthi, Jayaprakash / Mani, Vimalraj / Poudineh, Mohammad Ali / Chang, Soon Woong / Ravindran, Balasubramani

    Bioengineered

    2022  Volume 13, Issue 3, Page(s) 7798–7828

    Abstract: Increased industrialization demand using synthetic dyes in the newspaper, cosmetics, textiles, food, and leather industries. As a consequence, harmful chemicals from dye industries are released into water reservoirs with numerous structural components of ...

    Abstract Increased industrialization demand using synthetic dyes in the newspaper, cosmetics, textiles, food, and leather industries. As a consequence, harmful chemicals from dye industries are released into water reservoirs with numerous structural components of synthetic dyes, which are hazardous to the ecosystem, plants and humans. The discharge of synthetic dye into various aquatic environments has a detrimental effect on the balance and integrity of ecological systems. Moreover, numerous inorganic dyes exhibit tolerance to degradation and repair by natural and conventional processes. So, the present condition requires the development of efficient and effective waste management systems that do not exacerbate environmental stress or endanger other living forms. Numerous biological systems, including microbes and plants, have been studied for their ability to metabolize dyestuffs. To minimize environmental impact, bioremediation uses endophytic bacteria, which are plant beneficial bacteria that dwell within plants and may improve plant development in both normal and stressful environments. Moreover, Phytoremediation is suitable for treating dye contaminants produced from a wide range of sources. This review article proves a comprehensive evaluation of the most frequently utilized plant and microbes as dye removal technologies from dye-containing industrial effluents. Furthermore, this study examines current existing technologies and proposes a more efficient, cost-effective method for dye removal and decolorization on a big scale. This study also aims to focus on advanced degradation techniques combined with biological approaches, well regarded as extremely effective treatments for recalcitrant wastewater, with the greatest industrial potential.
    MeSH term(s) Bacteria ; Biodegradation, Environmental ; Coloring Agents/chemistry ; Ecosystem ; Humans ; Plants ; Textiles ; Waste Water ; Water Pollutants, Chemical/analysis
    Chemical Substances Coloring Agents ; Waste Water ; Water Pollutants, Chemical
    Language English
    Publishing date 2022-03-16
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Review
    ZDB-ID 2737830-5
    ISSN 2165-5987 ; 2165-5979
    ISSN (online) 2165-5987
    ISSN 2165-5979
    DOI 10.1080/21655979.2022.2049100
    Database MEDical Literature Analysis and Retrieval System OnLINE

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