Abstract：
:Notch is a single-pass transmembrane receptor protein which is composed of a short extracellular region, a single-pass transmembrane domain and a small intracellular region. Notch ligand like Delta, member of the DSL protein family, is also single-pass transmembrane protein. It has been demonstrated that of the 36 EGF repeats of Notch, 11th and 12th are sufficient to mediate interactions with Delta. Crystal structure of mammalian Notch extracellular ligand binding domain contains 11 and 12 EGF-like repeats. Here a portion of the Delta protein of Drosophila, known to interact with Notch extracellular domain (ECD) has been modeled using homology modeling. The structure of the Delta-Notch complex was subsequently modeled by protein docking method using GRAMM. MD simulations of the modeled structures were performed. The structure for Delta-Notch complex has been proposed based on interaction energy parameter and planarity studies.
journal_name
J Biomol Struct Dynjournal_title
Journal of biomolecular structure & dynamicsauthors
Majumder R,Roy S,Thakur Adoi
10.1080/07391102.2011.10507386subject
Has Abstractpub_date
2011-10-01 00:00:00pages
297-310issue
2eissn
0739-1102issn
1538-0254pii
c4313/Molecular-Modeling-and-Molecular-Dynamics-Sijournal_volume
29pub_type
杂志文章,收录出版abstract：:Different kinds of secondary metabolites present in the medicinal plants play an important role to alleviate different human ailments including neurodegenerative disorders such as Parkinson's, Alzheimer's, epilepsy and schizophrenia etc. Recently we have isolated and characterized a novel bioactive compound viz. 3-(3,...
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journal_title：Journal of biomolecular structure & dynamics
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journal_title：Journal of biomolecular structure & dynamics
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journal_title：Journal of biomolecular structure & dynamics
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journal_title：Journal of biomolecular structure & dynamics
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journal_title：Journal of biomolecular structure & dynamics
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journal_title：Journal of biomolecular structure & dynamics
pub_type： 杂志文章
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journal_title：Journal of biomolecular structure & dynamics
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journal_title：Journal of biomolecular structure & dynamics
pub_type： 杂志文章
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journal_title：Journal of biomolecular structure & dynamics
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journal_title：Journal of biomolecular structure & dynamics
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journal_title：Journal of biomolecular structure & dynamics
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doi：10.1080/07391102.2020.1754918
更新日期：2020-04-23 00:00:00
abstract：:Over 100 variants have been designed and studied, using multiple docking methods such as Autodock Vina, ArgusLab, Molegro Virtual Docker, and Hex-Cuda, to study the effect of alteration in the structure of carbamate-based acetylcholyne esterase (AChE) inhibitors. Sixteen selected systems were then subjected to 14 ns m...
journal_title：Journal of biomolecular structure & dynamics
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doi：10.1080/07391102.2016.1268977
更新日期：2018-01-01 00:00:00
