Characterizing the conformational landscape of MDM2-binding p53 peptides using molecular dynamics simulations

Characterizing the conformational landscape of MDM2-binding p53 peptides using molecular dynamics simulations

The conformational landscapes of p53 peptide variants and phage derived peptide (12/1) variants, all known to bind to MDM2, are studied using hamiltonian replica exchange molecular dynamics simulations. Complementing earlier observations, the current study suggests that the p53 peptides largely foll...

Saved in:

書目詳細資料
Main Authors:	Yadahalli, Shilpa, Li, Jianguo, Lane, David P., Gosavi, Shachi, Verma, Chandra Shekhar
其他作者:	School of Biological Sciences
格式:	Article
語言:	English
出版:	2018
主題:	Computational Biology and Bioinformatics Drug Discovery
在線閱讀:	https://hdl.handle.net/10356/89518 http://hdl.handle.net/10220/44983
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Nanyang Technological University
語言:	English

相似書籍

Characterizing the conformational landscape of MDM2-binding p53 peptides using Molecular Dynamics simulations
由: Yadahalli, S, et al.
出版: (2020)

Kinetic and thermodynamic effects of phosphorylation on p53 binding to MDM2
由: Yadahalli, Shilpa, et al.
出版: (2019)

Mechanism of stapled peptide binding to MDM2 : possible consequences for peptide design
由: Sim, Adelene Y. L., et al.
出版: (2015)

The dual interactions of p53 with MDM2 and p300 : implications for the design of MDM2 inhibitors
由: Kannan, Srinivasaraghavan, et al.
出版: (2020)

Kinetic and thermodynamic effects of phosphorylation on p53 binding to MDM2
由: Yadahalli, S., et al.
出版: (2021)

Integrative methods for discovering generic CIS-regulatory motifs
由: EDWARD WIJAYA
出版: (2010)

Mechanism of stapled peptide binding to MDM2: Possible consequences for peptide design
由: Sim, A.Y.L., et al.
出版: (2014)

On the origin of the stereoselective affinity of Nutlin-3 geometrical isomers for the MDM2 protein
由: ElSawy, K.M., et al.
出版: (2014)

Why is F19Ap53 unable to bind MDM2? Simulations suggest crack propagation modulates binding
由: Dastidar, S.G., et al.
出版: (2014)

Systematic mutational analysis of an ubiquitin ligase (MDM2)-binding peptide: Computational studies
由: Liu, Y., et al.
出版: (2014)

Modulation of p53 binding to MDM2: Computational studies reveal important roles of Tyr100
由: Dastidar, S.G., et al.
出版: (2014)

A spatiotemporal characterization of the effect of p53 phosphorylation on its interaction with MDM2
由: ElSawy, Karim M., et al.
出版: (2016)

CANCER GENOME BIOMARKER DISCOVERY WITH INTEGRATED MOLECULAR DATA AND SYSTEMS BIOLOGY-ORIENTED APPROACHES
由: LI XIAOHE
出版: (2021)

The dual interactions of p53 with MDM2 and p300: Implications for the design of MDM2 inhibitors
由: Kannan, S., et al.
出版: (2021)

The p53–Mdm2 interaction and the E3 ligase activity of Mdm2/Mdm4 are conserved from lampreys to humans
由: Venkatesh, Byrappa, et al.
出版: (2016)

Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids
由: Chee S.M.Q., et al.
出版: (2019)

Hydration effects on the efficacy of the Epidermal growth factor receptor kinase inhibitor afatinib
由: Kannan, Srinivasaraghavan, et al.
出版: (2017)

Conservation of all three p53 family members and Mdm2 and Mdm4 in the cartilaginous fish
由: Lane, D.P., et al.
出版: (2014)

On the interaction mechanisms of a p53 peptide and nutlin with the MDM2 and MDMX proteins: A Brownian dynamics study
由: ElSawy, K.M., et al.
出版: (2014)

Squid suckerin biomimetic peptides form amyloid-like crystals with robust mechanical properties
由: Hiew, Shu Hui, et al.
出版: (2018)

Medicinal plants of the Mien (Yao) in Northern Thailand and their potential value in the primary healthcare of postpartum women
由: Panyaphu,K., et al.
出版: (2015)

In vitro anti-proliferative activity on colon cancer cell line (HT-29) of Thai medicinal plants selected from Thai/Lanna medicinal plant recipe database "MANOSROI III"
由: Manosroi,A., et al.
出版: (2015)

Investigation of anti-inflammatory, antinociceptive and antipyretic activities of Stahlianthus involucratus rhizome ethanol extract
由: Pingsusaen,P., et al.
出版: (2015)

Acidophilic actinomycetes from rhizosphere soil: diversity and properties beneficial to plants
由: Poomthongdee,N., et al.
出版: (2015)

Antibacterial dihydrobenzopyran and xanthone derivatives from Garcinia cowa stem barks
由: Siridechakorn I., et al.
出版: (2015)

Neolignans from leaves of Miliusa mollis
由: Sawasdee,K., et al.
出版: (2015)

Tissue resident memory T cells in the human conjunctiva and immune signatures in human dry eye disease
由: Bose, Tanima, et al.
出版: (2017)

The small molecule AUTEN-99 (autophagy enhancer-99) prevents the progression of neurodegenerative symptoms
由: Kovács, Tibor, et al.
出版: (2017)

Contribution of high-content imaging technologies to the development of anti-infective drugs
由: Ang, Michelle Lay Teng, et al.
出版: (2017)

A funneled conformational landscape governs flavivirus fusion peptide interaction with lipid membranes
由: Marzinek, Jan Kazimierz, et al.
出版: (2020)

A yeast two-hybrid system for the screening and characterization of small-molecule inhibitors of protein–protein interactions identifies a novel putative Mdm2-binding site in p53
由: Wong, Jin Huei, et al.
出版: (2018)

Can glycosylation mask the detection of MHC expressing p53 peptides by T cell receptors?
由: Nguyen, Thanh Binh, et al.
出版: (2022)

Rational optimization of conformational effects induced by hydrocarbon staples in peptides and their binding interfaces
由: Lama, Dilraj, et al.
出版: (2014)

Understanding peptide specificity through structural immunoinformatics
由: TONG JOO CHUAN
出版: (2010)

Automated linear motif discovery from protein interaction network
由: TAN SOON HENG
出版: (2010)

C-terminal Substitution of MDM2 interacting peptides modulates binding affinity by distinctive mechanisms
由: Brown, C.J., et al.
出版: (2014)

Effects of acacia grades, oil types and preparation methods on the formation and stability of oral emulsions
由: Boonme,P., et al.
出版: (2015)

Rational optimization of conformational effects induced by hydrocarbon staples in peptides and their binding interfaces
由: Lama, D., et al.
出版: (2014)

The MDM2-binding region in the transactivation domain of p53 also acts as a Bcl-XL-binding motif
由: Xu, Huibin, et al.
出版: (2012)

Characterizing the Conformational Landscape of Flavivirus Fusion Peptides via Simulation and Experiment
由: Marzinek, J.K, et al.
出版: (2020)