Výsledky vyhledávání - "Venkata Sai Sreyas Adury"

Targeting RdRp of SARS-CoV-2 with de novo molecule generation

Autor: Amal Vijay, Venkata Sai Sreyas Adury, Arnab Mukherjee

Viruses are known for their extremely high mutation rates, allowing them to evade both the human immune system and many forms of standard medicine. Despite this, the RNA Dependent RNA Polymerase (RdRp) of the RNA viruses has been largely conserved, a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::408e7ba52af226446b8ea050e17fe2fc
https://doi.org/10.26434/chemrxiv-2023-xjth6

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Leveraging an enzyme/artificial substrate system to enhance cellular persulfides and mitigate neuroinflammation†

Autor: Venkata Sai Sreyas Adury, Harinath Chakrapani, Siddhesh S. Kamat, Mrutyunjay A. Nair, Rupali R. M. Sathe, Kavya Gupta, Prerona Bora, Suman Manna, Amrita B. Hazra, Shubham Singh, Arnab Mukherjee, Deepak Kumar Saini

Publikováno v: Chemical Science

Persulfides and polysulfides, collectively known as the sulfane sulfur pool along with hydrogen sulfide (H2S), play a central role in cellular physiology and disease. Exogenously enhancing these species in cells is an emerging therapeutic paradigm fo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dcf933d0d12e0689d64f128267d9f3e2
http://europepmc.org/articles/PMC8513928

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Atomistic De‐novo Inhibitor Generation‐Guided Drug Repurposing for SARS‐CoV‐2 Spike Protein with Free‐Energy Validation by Well‐Tempered Metadynamics

Autor: Amal Vijay, Venkata Sai Sreyas Adury, Reman K. Singh, Arnab Mukherjee, Rituparno Chowdhury

Publikováno v: Chemistry, an Asian Journal

Computational drug design is increasingly becoming important with new and unforeseen diseases like COVID‐19. In this study, we present a new computational de novo drug design and repurposing method and applied it to find plausible drug candidates f

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21546f663269020e7d93a6426a8561d2
https://doi.org/10.1002/asia.202100268

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Electrostatically Directed Long‐Range Self‐Assembly of Nucleotides with Cationic Nanoparticles To Form Multifunctional Bioplasmonic Networks

Autor: Sumit Roy, Venkata Sai Sreyas Adury, Anish Rao, Soumendu Roy, Arnab Mukherjee, Pramod P. Pillai

Publikováno v: Angewandte Chemie. 134

Precise control over interparticle interactions is essential to retain the functions of individual components in a self-assembled superstructure. Here, we report the design of a multifunctional bioplasmonic network via an electrostatically directed s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5877c9a60c78532cf4b9f17664542c37
https://doi.org/10.1002/ange.202203924

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Generate, Repurpose, Validate: A Receptor-Mediated Atom-by-Atom Drug Generation for SARS-Cov-2 Spike Protein and Similarity-Mapped Drug Repurposing for COVID-19 with Rigorous Free Energy Validation Using Well-Tempered Metadynamics

Autor: Rituparno Chowdhury, Venkata Sai Sreyas Adury, Amal Vijay, Reman K. Singh, Arnab Mukherjee

Finding a cure for Covid-19 is of immediate and paramount importance. In this study, we propose new and repurpose drugs to prevent SARS-Cov-2 (Covid-19) viral attack on human cells. Our study comprises three steps: generation of new molecules, struct

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::486a7ac302ea6dcf4e025065f64a0b78
https://doi.org/10.26434/chemrxiv.12318311

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