Výsledky vyhledávání - "conserved water"

Akademický článek

Novel Sequence Feature of SecA Translocase Protein Unique to the Thermophilic Bacteria: Bioinformatics Analyses to Investigate Their Potential Roles

Autor: Bijendra Khadka, Dhillon Persaud, Radhey S. Gupta

Publikováno v: Microorganisms, Vol 8, Iss 1, p 59 (2019)

SecA is an evolutionarily conserved protein that plays an indispensable role in the secretion of proteins across the bacterial cell membrane. Comparative analyses of SecA homologs have identified two large conserved signature inserts (CSIs) that are

Externí odkaz: https://doaj.org/article/f1d3c6a393c441148948b7337a21af1c

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Akademický článek

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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

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea719d355c720fb5fc4cdc5e9082ed16
https://doi.org/10.1080/07391102.2020.1804458

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Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease

Autor: Yu Guo, Hao Wang, Weilong Deng, Zheng Yin, Ying Zhang, Jixue Sun, Dongmei Li, Shuai He, Guobang Li, Wei Zhao, Luqing Shang

Publikováno v: ACS Catalysis

Coronavirus 3C-like protease (3CLPro) is a highly conserved cysteine protease employing a catalytic dyad for its functions. 3CLPro is essential to the viral life cycle and, therefore, is an attractive target for developing antiviral agents. However,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::42443ef42b60e9307ce98236a39a2765
http://europepmc.org/articles/PMC7202269

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Molecular dynamics analysis of conserved water mediated inter-domain recognition of His667-Trp669 in human ceruloplasmin

Autor: Bishnu P. Mukhopadhyay

Publikováno v: Bioinformation

The human ceruloplasmin (hCP) is the copper containing ferroxidase enzyme with multifunctional activities (NO-oxidase, NO2-synthase,oxidation of neurotransmitters including antioxidants). Therefore, it is of interest to probe the multi-domain hCP usi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9028e9da8f09ac133ff2447ea387d76a
https://doi.org/10.6026/97320630016209

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ProBiS H2O MD Approach for Identification of Conserved Water Sites in Protein Structures for Drug Design

Autor: Urban Bren, Marko Jukič, Janez Konc, Dušanka Janežič

Publikováno v: ACS Medicinal Chemistry Letters

The ProBiS H2O MD approach for identification of conserved waters and water sites of interest in macromolecular systems, which is becoming a typical step in a structure-based drug design or macromolecular study in general, is described. This work exp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f5baa8e0594d811c91c739431fc4245b
https://doi.org/10.1021/acsmedchemlett.9b00651

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Razvoj računalniškega grafičnega vmesnika v programu PyMOL za strukturno in na osnovi-liganda podprto načrtovanje zdravil

Autor: Jurić, Vito

Vtičniki za in silico razvoj zdravil LiSiCA GUI, ProBiS H2O in ProBiS H2O MD so vtičniki za program PyMOL. PyMOL je eno najbolj razširjenih orodij za 3D molekularno vizualizacijo. Z zadnjimi nadgradnjami programa PyMOL so se spremenile zahteve za

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3505::0a753cbb94bd0dd860aa45f94351b363
https://hdl.handle.net/20.500.12556/RUL-132949

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Insights from molecular dynamics simulation of human ceruloplasmin (ferroxidase enzyme) binding with biogenic monoamines

Autor: Bishnu P. Mukhopadhyay

Publikováno v: Bioinformation

Human ceruloplasmin (hCP) is a multi-copper oxidase with ferroxidase and amine oxidase activities. Molecular dynamics simulation (MDS) and docking analysis of biogenic monoamines with ceruloplasmin explain the role of Asp1025, Glu935, Glu272, Glu232

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2596d0ad5114f8cf17dcef642f379d21
https://doi.org/10.6026/97320630015750

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