ArticleBiophysical journal2006
Immunophysical properties and prediction of activities for vaccinia virus complement control protein and smallpox inhibitor of complement enzymes using molecular dynamics and electrostatics.
Article in Biophysical journal, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 39 citations in OpenAlex.
- Mutational signatures in GATA3 transcription factor and its DNA binding domain that stimulate breast cancer and HDR syndrome.Scientific reports · 2021Article
- Role of Electrostatic Hotspots in the Selectivity of Complement Control Proteins Toward Human and Bovine Complement Inhibition.Frontiers in molecular biosciences · 2021Article
- Electrostatic Steering Accelerates C3d:CR2 Association.The journal of physical chemistry. B · 2016Article
- Electrostatic Interactions between Complement Regulator CD46(SCR1-2) and Adenovirus Ad11/Ad21 Fiber Protein Knob.Molecular biology international · 2015Article
- Clustering of HIV-1 Subtypes Based on gp120 V3 Loop electrostatic properties.BMC biophysics · 2012Article
- Blurred line between chemotactic chase and phagocytic consumption: an immunophysical single-cell perspective.Journal of cell science · 2011Review
- Electrostatic clustering and free energy calculations provide a foundation for protein design and optimization.Annals of biomedical engineering · 2011Review
- Contribution of specific amino acid changes in penicillin binding protein 1 to amoxicillin resistance in clinical Helicobacter pylori isolates.Antimicrobial agents and chemotherapy · 2011Article
- A multifaceted study of stigma/style cysteine-rich adhesin (SCA)-like Arabidopsis lipid transfer proteins (LTPs) suggests diversified roles for these LTPs in plant growth and reproduction.Journal of experimental botany · 2010Article
- Mapping of functional domains in herpesvirus saimiri complement control protein homolog: complement control protein domain 2 is the smallest structural unit displaying cofactor and decay-accelerating activities.Journal of virology · 2009Article
- Smallpox inhibitor of complement enzymes (SPICE): dissecting functional sites and abrogating activity.Journal of immunology (Baltimore, Md. : 1950) · 2009Article
- Inhibition of complement and CD14 attenuates the Escherichia coli-induced inflammatory response in porcine whole blood.Infection and immunity · 2009Article
- Smallpox inhibitor of complement enzymes (SPICE): regulation of complement activation on cells and mechanism of its cellular attachment.Journal of immunology (Baltimore, Md. : 1950) · 2008Article
- Identification of hot spots in the variola virus complement inhibitor (SPICE) for human complement regulation.Journal of virology · 2008Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
Abstract
We present immunophysical modeling for VCP, SPICE, and three mutants using MD simulations and Poisson-Boltzmann-type electrostatic calculations. VCP and SPICE are homologous viral proteins that control the complement system by imitating, structurally and functionally, natural regulators of complement activation. VCP and SPICE consist of four CCP modules connected with short flexible loops. MD simulations demonstrate that the rather complex modules of VCP/SPICE and their mutants exhibit a high degree of intermodular spatial mobility, which is affected by surface mutations. Electrostatic calculations using snapshots from the MD trajectories demonstrate variable spatial distribution of the electrostatic potentials, which suggests dynamic binding properties. We use covariance analysis to identify correlated modular oscillations. We also use electrostatic similarity indices to cluster proteins with common electrostatic properties. Our results are compared with experimental data to form correlations between the overall positive electrostatic potential of VCP/SPICE with binding and activity. We show how these correlations can be used to predict binding and activity properties. This work is expected to be useful for understanding the function of native CCP-containing regulators of complement activation and receptors and for the design of antiviral therapeutics and complement inhibitors.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.