Search Results - "Moharana, Maheswata"
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Identification of phytochemicals from Eclipta alba and assess their potentiality against Hepatitis C virus envelope glycoprotein: virtual screening, docking, and molecular dynamics simulation study
Published in Journal of biomolecular structure & dynamics (24-07-2023)“…Hepatitis C virus has a major role in spreading chronic liver disease and hepatocellular carcinoma. Factors such as high costs, pharmacological side effects,…”
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Molecular recognition of bio-active triterpenoids from Swertia chirayita towards hepatitis Delta antigen: a mechanism through docking, dynamics simulation, Gibbs free energy landscape
Published in Journal of biomolecular structure & dynamics (29-12-2023)“…Medicinal plants the underpinning of indigenous herbal serve, are the possible source of key compounds for the development of new drugs. Hepatitis D, one of…”
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Bioactive compounds from Pandanous fascicularis as potential therapeutic candidate to tackle hepatitis a inhibition: Docking and molecular dynamics simulation study
Published in Journal of biomolecular structure & dynamics (21-12-2023)“…Due to extensive pharmacological research, medicinal plants the underpinning of indigenous herbal serve as a possible source of key compounds for the…”
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Identification of novel potential hepatitis E virus inhibitors as seen from molecular docking, free energy landscape and molecular dynamics simulation studies
Published in Molecular simulation (03-07-2023)“…Hepatitis E virus (HEV), a non-enveloped and globular protein, is the primary cause of acute hepatitis. The structural capsid protein encoded by HEV is the…”
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Effective Removal of Pb(II), Cr(VI), and Cd(II) Ions from Water Using Environmentally Friendly Cerium Oxide Nanoparticles Synthesized from Pods of Pisum sativum
Published in Water, air, and soil pollution (01-05-2024)“…Despite several technological advances and breakthroughs wastewater treatment continue to be a major problem on a world basis. Here, in this work we…”
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Computational efforts to identify natural occurring compounds from phyllanthus niruri that target hepatitis B viral infections: DFT, docking and dynamics simulation study
Published in Journal of the Indian Chemical Society (01-09-2022)“…Hepatitis B virus (HBV) is an enveloped hepatotropic virus responsible for nucleic acids replication. It causes chronic infection. Depending on the strain,…”
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Effect of temperature on hepatitis a virus and exploration of binding mode mechanism of phytochemicals from tinospora cordifolia: an insight into molecular docking, MM/GBSA, and molecular dynamics simulation study
Published in Journal of biomolecular structure & dynamics (22-01-2024)“…The hepatitis A virus (HAV), which causes hepatitis A, is a contagious liver ailment. The infections are not specifically treated by any medications…”
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Impact of mutation on podocin protein involved in type 2 nephrotic syndrome: Insights into docking and molecular dynamics simulation study
Published in Journal of molecular liquids (01-05-2019)“…Podocin is expressed in the nephrotic tissues and its mutation inside the gene have been associated to familial idiopathic type 2 nephrotic syndrome. Here we…”
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Evaluation of binding performance of bioactive compounds against main protease and mutant model spike receptor binding domain of SARS-CoV-2: Docking, ADMET properties and molecular dynamics simulation study
Published in Journal of the Indian Chemical Society (01-04-2022)“…Phytochemicals present in medicinal plants have a variety of biological activities that help to combat against diseases. As part of efforts to study the…”
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Leaching and Preparation of Co-Mo Sulfide/Oxide Nanoparticles from Spent Catalyst
Published in JOM (1989) (01-10-2018)“…Acid leaching of spent molybdenum (Mo) catalyst followed by a simple pH-selective precipitation route for recovery of Co-Mo sulfide/oxide complexes in high…”
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