Structural insight to hydroxychloroquine-3C-like proteinase complexation from SARS-CoV-2: inhibitor modelling study through molecular docking and MD-simulation study

Autor: Soumita Mukherjee, Utpal Adhikari, Sujit S. Panja, Tapasendra Adhikary, Subrata Dasgupta

Publikováno v: Journal of Biomolecular Structure & Dynamics
article-version (VoR) Version of Record
Journal of Biomolecular Structure and Dynamics

The spread of novel coronavirus strain, Severe Acute Respiratory Syndrome 2 (SARS-CoV-2) causes Coronavirus disease (COVID-19) has now spread worldwide and effecting the entire human race. The viral genetic material is transcripted and replicated by

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https://doi.org/10.1080/07391102.2020.1804458

Role of SHGs in India in Confronting the Pandemic

Autor: Soumita Mukherjee

The entire economy is undergoing a stage of acute crisis known as COVID-19. This infectious virus has imposed a serious threat on the survival of human being across the world. This global pandemic has huge impact on the world economy. Like many count

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ddff718c88b47a563d18063281fb992d
https://doi.org/10.31674/book.2022sseg.015

A comparative theoretical investigation on the hydride transfer process of trans and gauche conformers of phenylethylamine and norepinephrine with lumiflavin

Autor: Dasgupta, Subrata, Soumita Mukherjee, Bishnu P. Mukhopadhyay

Department of Chemistry, National Institute of Technology Durgapur, Durgapur-713 209, West Bengal, India E-mail: bpmukhopadhyay17@gmail.com Manuscript received online 19 October 2020, revised and accepted 30 November 2020 The deamination of phenyleth

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a415c88fddf0f21b35070f26cb1ca72

Recognition of trans and gauche phenylethylamine conformers in the active site of human monoamine oxidase B: A MD-simulation and DFT studies

Autor: Soumita Mukherjee, Subrata Dasgupta, Bishnu P. Mukhopadhyay

Publikováno v: Computational and Theoretical Chemistry. 1127:44-51

Phenylethylamine (PEA) is an endogenous amphetamine and as such, it blocks monoamine transporters and to a lesser extent vesicular transport thus elevating the level of corresponding neurotransmitter molecules at the synaptic cleft. In the physiologi

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https://doi.org/10.1016/j.comptc.2018.01.021

Phosphorylation of Ku70 subunit by cell cycle kinases modulates the replication related function of Ku heterodimer

Autor: Prabal Chakraborty, Partha Saha, Soumita Mukherjee

Publikováno v: Nucleic Acids Research

The Ku protein, a heterodimer of Ku70 and Ku80, binds to chromosomal replication origins maximally at G1-phase and plays an essential role in assembly of origin recognition complex. However, the mechanism regulating such a critical periodic activity

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https://doi.org/10.1093/nar/gkw622