Search Results - "Padhi, Aditya K."
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High-throughput rational design of the remdesivir binding site in the RdRp of SARS-CoV-2: implications for potential resistance
Published in iScience (22-01-2021)“…The use of remdesivir to treat COVID-19 will likely continue before clinical trials are completed. Due to the lengthening pandemic and evolving nature of the…”
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Impaired tissue homing by the Ikzf3N159S variant is mediated by interfering with Ikaros function
Published in Frontiers in immunology (17-08-2023)“…AIOLOS, encoded by IKZF3 , is a member of the IKZF family of proteins that plays an important role in regulating late B-cell differentiation. Human individuals…”
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Computational Protein Design for COVID-19 Research and Emerging Therapeutics
Published in ACS central science (26-04-2023)“…As the world struggles with the ongoing COVID-19 pandemic, unprecedented obstacles have continuously been traversed as new SARS-CoV-2 variants continually…”
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Mechanisms of loss of functions of human angiogenin variants implicated in amyotrophic lateral sclerosis
Published in PloS one (27-02-2012)“…Mutations in the coding region of angiogenin (ANG) gene have been found in patients suffering from Amyotrophic Lateral Sclerosis (ALS). Neurodegeneration…”
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Geranyl Diphosphate Synthase (CrtE) Inhibition Using Alendronate Enhances Isoprene Production in Recombinant Synechococcus elongatus UTEX 2973: A Step towards Isoprene Biorefinery
Published in Fermentation (Basel) (01-03-2023)“…A hemiterpene, isoprene, is commercially produced from crude oil refining processes. As a result of fossil fuel depletion, isoprene production process…”
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Computational and functional characterization of Angiogenin mutations, and correlation with amyotrophic lateral sclerosis
Published in PloS one (05-11-2014)“…The Angiogenin (ANG) gene is frequently mutated in patients suffering from the neurodegenerative disease--amyotrophic lateral sclerosis (ALS). Most of the…”
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Hotspot residues and resistance mutations in the nirmatrelvir-binding site of SARS-CoV-2 main protease: Design, identification, and correlation with globally circulating viral genomes
Published in Biochemical and biophysical research communications (12-11-2022)“…Shortly after the onset of the COVID-19 pandemic, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has acquired numerous variations in its…”
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Delineating the Structure–Dynamics–Binding Differences among BA.1, BA.4/5, and BF.7 SARS-CoV‑2 Variants through Atomistic Simulations: Correlation with Structural and Epidemiological Features
Published in ACS omega (17-10-2023)“…Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is an RNA virus possessing a spike (S) protein that facilitates the entry of the virus into human…”
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Targeted design of drug binding sites in the main protease of SARS-CoV-2 reveals potential signatures of adaptation
Published in Biochemical and biophysical research communications (28-05-2021)“…Several existing drugs are currently being tested worldwide to treat COVID-19 patients. Recent data indicate that SARS-CoV-2 is rapidly evolving into more…”
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NeuroDNet - an open source platform for constructing and analyzing neurodegenerative disease networks
Published in BMC neuroscience (03-01-2013)“…Genetic networks control cellular functions. Aberrations in normal cellular function are caused by mutations in genes that disrupt the fine tuning of genetic…”
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Accelerating COVID-19 Research Using Molecular Dynamics Simulation
Published in The journal of physical chemistry. B (19-08-2021)“…The COVID-19 pandemic has emerged as a global medico-socio-economic disaster. Given the lack of effective therapeutics against SARS-CoV-2, scientists are…”
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Unraveling the mechanism of arbidol binding and inhibition of SARS-CoV-2: Insights from atomistic simulations
Published in European journal of pharmacology (05-03-2021)“…The COVID-19 pandemic has spread rapidly and poses an unprecedented threat to the global economy and human health. Broad-spectrum antivirals are currently…”
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Scanning the RBD-ACE2 molecular interactions in Omicron variant
Published in Biochemical and biophysical research communications (12-02-2022)“…The emergence of new SARS-CoV-2 variants poses a threat to the human population where it is difficult to assess the severity of a particular variant of the…”
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Long-timescale atomistic simulations uncover loss-of-function mechanisms of uncharacterized Angiogenin mutants associated with ALS
Published in Archives of biochemistry and biophysics (01-06-2024)“…Amyotrophic Lateral Sclerosis (ALS) is a devastating neurodegenerative disease characterized by progressive degeneration of motor neurons, resulting in…”
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Design of a peptide-based subunit vaccine against novel coronavirus SARS-CoV-2
Published in Microbial pathogenesis (01-08-2020)“…Coronavirus disease 2019 (COVID-19) is an emerging infectious disease that was first reported in Wuhan, China, and has subsequently spread worldwide. In the…”
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High-throughput design of symmetrical dimeric SARS-CoV-2 main protease: structural and physical insights into hotspots for adaptation and therapeutics
Published in Physical chemistry chemical physics : PCCP (20-04-2022)“…Dimerization of SARS-CoV-2 main protease (M ) is a prerequisite for its processing activity. With >2000 mutations already reported in M , SARS-CoV-2 may…”
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Development of multi-epitope driven subunit vaccine against Fasciola gigantica using immunoinformatics approach
Published in International journal of biological macromolecules (01-10-2019)“…Fascioliasis, a serious helminth disease of the livestock population, results from infection with the parasite Fasciola. Despite the alarming increase in drug…”
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Angiogenin mutations in Hungarian patients with amyotrophic lateral sclerosis: Clinical, genetic, computational, and functional analyses
Published in Brain and behavior (01-06-2019)“…Introduction Mutations in the angiogenin (ANG) gene are known to be associated with both familial and sporadic amyotrophic lateral sclerosis (ALS). The…”
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Immunoinformatics Protocol to Design Multi-Epitope Subunit Vaccines
Published in Methods in molecular biology (Clifton, N.J.) (2023)“…With the development of scientific technologies, the accessibility of genomic data, computational tools, software, databases, and machine learning, the field…”
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Can SARS-CoV‑2 Accumulate Mutations in the S‑Protein to Increase Pathogenicity?
Published in ACS pharmacology & translational science (09-10-2020)“…SARS-CoV-2 has developed a substantial number of mutations, especially in the S-protein. With the advancement of the pandemic, accumulations of further…”
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