S
Shibaji Ghosh
Researcher at Central Salt and Marine Chemicals Research Institute
Publications - 9
Citations - 82
Shibaji Ghosh is an academic researcher from Central Salt and Marine Chemicals Research Institute. The author has contributed to research in topics: Acetylcholinesterase & Choline binding. The author has an hindex of 5, co-authored 9 publications receiving 55 citations. Previous affiliations of Shibaji Ghosh include Academy of Scientific and Innovative Research & Council of Scientific and Industrial Research.
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Journal ArticleDOI
Revealing the Inhibition Mechanism of RNA-Dependent RNA Polymerase (RdRp) of SARS-CoV-2 by Remdesivir and Nucleotide Analogues: A Molecular Dynamics Simulation Study.
Padmaja D. Wakchaure,Padmaja D. Wakchaure,Shibaji Ghosh,Shibaji Ghosh,Bishwajit Ganguly,Bishwajit Ganguly +5 more
TL;DR: The MD simulation results suggest that compound-17 binds strongly with RdRp of SARS-CoV-2 and has the potential to develop as a new antiviral against COVID-19 and can be one of the potential candidates for the treatment of CO VID-19.
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Revealing the mechanistic pathway of cholinergic inhibition of Alzheimer's disease by donepezil: a metadynamics simulation study
Shibaji Ghosh,Shibaji Ghosh,Kalyanashis Jana,Kalyanashis Jana,Bishwajit Ganguly,Bishwajit Ganguly +5 more
TL;DR: The WTMtD simulations reveal that the bridged water molecules are more ordered near the catalytic triad of AChE to deter the nucleophilicity of Ser203 through intermolecular hydrogen bonding when donepezil approaches near to the active site gorge of A ChE.
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The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies.
Rabindranath Lo,Nellore Bhanu Chandar,Nellore Bhanu Chandar,Shibaji Ghosh,Shibaji Ghosh,Bishwajit Ganguly,Bishwajit Ganguly +6 more
TL;DR: The overall study shows that after mutagenesis (Y337A), the reactivator can approach more freely towards the phosphorylated active site of serine without any significant steric hindrance in the presence of tabun compared to the wild type and double mutant.
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Revealing the cholinergic inhibition mechanism of Alzheimer's by galantamine: a metadynamics simulation study.
Shibaji Ghosh,Shibaji Ghosh,Kalyanashis Jana,Kalyanashis Jana,Padmaja D. Wakchaure,Padmaja D. Wakchaure,Bishwajit Ganguly,Bishwajit Ganguly +7 more
TL;DR: In this article, a docking study has been performed to examine the ACh's binding with the catalytic triad of galantamine bound human acetylcholine (AChE).
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Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies
Shibaji Ghosh,Shibaji Ghosh,Nellore Bhanu Chandar,Nellore Bhanu Chandar,Kalyanashis Jana,Kalyanashis Jana,Bishwajit Ganguly,Bishwajit Ganguly +7 more
TL;DR: Oxime K203 seems to be one of the promising reactivators for tabun-inhibited AChE than (K027, K127, and K628), which differ only in the linker units between the two pyridinium rings.