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- W3198912009 abstract "Cupiennin 1a is an antimicrobial peptide found in the venom of the spider Cupiennius salei. A highly cationic peptide, its cell lysis activity has been found to vary between neutral and charged membranes. In this study, Hamiltonian replica-exchange molecular dynamics (HREMD) was used to determine the conformational ensemble of the peptide in both charged (pH 3) and neutral (pH 11) states. The obtained free energy landscapes demonstrated the conformational diversity of the neutral peptide. At high pH, the peptide was found to adopt helix–hinge–helix and disordered structures. At pH 3, the peptide is structured with a high propensity toward α-helices. The presence of these α-helices seems to assist the peptide in recognizing membrane surfaces. These results highlight the importance of the charged residues in the stabilization of the peptide structure and the subsequent effects of pH on the peptide’s conformational diversity and membrane activity. These findings may provide insights into the antimicrobial activity of Cupiennin 1a and other amphipathic linear peptides toward different cell membranes." @default.
- W3198912009 created "2021-09-13" @default.
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- W3198912009 creator A5088209243 @default.
- W3198912009 date "2021-09-07" @default.
- W3198912009 modified "2023-09-27" @default.
- W3198912009 title "pH-Dependent Conformations of an Antimicrobial Spider Venom Peptide, Cupiennin 1a, from Unbiased HREMD Simulations" @default.
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- W3198912009 cites W1964527012 @default.
- W3198912009 cites W1964774201 @default.
- W3198912009 cites W1969903391 @default.
- W3198912009 cites W1970120604 @default.
- W3198912009 cites W1976499671 @default.
- W3198912009 cites W1978498560 @default.
- W3198912009 cites W1978733462 @default.
- W3198912009 cites W1980485589 @default.
- W3198912009 cites W1981021420 @default.
- W3198912009 cites W1984481443 @default.
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- W3198912009 cites W1987327282 @default.
- W3198912009 cites W1990771438 @default.
- W3198912009 cites W1994880906 @default.
- W3198912009 cites W2003318145 @default.
- W3198912009 cites W2005782719 @default.
- W3198912009 cites W2008708467 @default.
- W3198912009 cites W2008968082 @default.
- W3198912009 cites W2013092938 @default.
- W3198912009 cites W2013144726 @default.
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- W3198912009 cites W2078169364 @default.
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- W3198912009 doi "https://doi.org/10.1021/acsomega.1c03729" @default.
- W3198912009 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8459419" @default.
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- W3198912009 hasPublicationYear "2021" @default.
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