ArticleBiophysical journal2010
New compstatin variants through two de novo protein design frameworks.
Article in Biophysical journal, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed.
- Rigorous Computational and Experimental Investigations on MDM2/MDMX-Targeted Linear and Macrocyclic Peptides.Molecules (Basel, Switzerland) · 2019Article
- Article
- New compstatin peptides containing N-terminal extensions and non-natural amino acids exhibit potent complement inhibition and improved solubility characteristics.Journal of medicinal chemistry · 2015Article
- Forcefield_NCAA: ab initio charge parameters to aid in the discovery and design of therapeutic proteins and peptides with unnatural amino acids and their application to complement inhibitors of the compstatin family.ACS synthetic biology · 2014Article
- Derivation of ligands for the complement C3a receptor from the C-terminus of C5a.European journal of pharmacology · 2014Article
- De novo design and experimental characterization of ultrashort self-associating peptides.PLoS computational biology · 2014Article
- Protein folding and de novo protein design for biotechnological applications.Trends in biotechnology · 2014Review
- Molecular recognition of CCR5 by an HIV-1 gp120 V3 loop.PloS one · 2014Article
- De novo peptide design and experimental validation of histone methyltransferase inhibitors.PloS one · 2014Article
- Forcefield_PTM:Journal of chemical theory and computation · 2013Article
- Novel compstatin family peptides inhibit complement activation by drusen-like deposits in human retinal pigmented epithelial cell cultures.Experimental eye research · 2013Article
- An evolution-based approach to De Novo protein design and case study on Mycobacterium tuberculosis.PLoS computational biology · 2013Article
- Protein WISDOM: a workbench for in silico de novo design of biomolecules.Journal of visualized experiments : JoVE · 2013Article
- Systematic optimization model and algorithm for binding sequence selection in computational enzyme design.Protein science : a publication of the Protein Society · 2013Article
- New analogs of the clinical complement inhibitor compstatin with subnanomolar affinity and enhanced pharmacokinetic properties.Immunobiology · 2013Article
- De novo peptide design with C3a receptor agonist and antagonist activities: theoretical predictions and experimental validation.Journal of medicinal chemistry · 2012Article
- Molecular dynamics in drug design: new generations of compstatin analogs.Chemical biology & drug design · 2012Article
- Article
- A new generation of potent complement inhibitors of the Compstatin family.Chemical biology & drug design · 2011Article
- Discovery of entry inhibitors for HIV-1 via a new de novo protein design framework.Biophysical journal · 2010Article
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Authors and funding
6 authors.
Funding
Abstract
Two de novo protein design frameworks are applied to the discovery of new compstatin variants. One is based on sequence selection and fold specificity, whereas the other approach is based on sequence selection and approximate binding affinity calculations. The proposed frameworks were applied to a complex of C3c with compstatin variant E1 and new variants with improved binding affinities are predicted and experimentally validated. The computational studies elucidated key positions in the sequence of compstatin that greatly affect the binding affinity. Positions 4 and 13 were found to favor Trp, whereas positions 1, 9, and 10 are dominated by Asn, and position 11 consists mainly of Gln. A structural analysis of the C3c-bound peptide analogs is presented.
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