Comparative analysis of the electrostatics of the binding of cationic proteins to vesicles: Asymmetric location of anionic phospholipids

Torrens, Francisco; Castellano, Gloria

doi:10.1016/j.aca.2009.08.017

Cited by 5 publications

(2 citation statements)

References 74 publications

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“…and bovine serum albumin (-9.0e.u.) [45,62,63]. The present study may also be of interest for peptides, e.g., melittin [64], polymers [65] and polyelectrolytes [66], and in peptide and protein chargemigration studies [67][68][69][70].…”

Section: Perspectivesmentioning

confidence: 98%

Topological Charge-Transfer Indices: From Small Molecules to Proteins

Torrens¹,

Castellano²

2009

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Valence-topological charge-transfer indices are applied to the calculation of dipole moment-pH at the isoelectric point. Dipole moments calculated by algebraic-vector semisums of charge-transfer indices are defined. The ability of indices, for the description of molecular charge distribution, is established by comparing them with the dipole moment of the valence-isoelectronic series of cyclopentadiene-benzene-styrene. Both charge-transfer indices are proposed: vector semisums μ vec -μ vec V . The μ vec V is intermediate between μ vec and μ experiment . The steric effect is almost constant along series and the dominating effect is electronic. The indices are applied to the calculation of the dipole moments of the homologous series of percutaneous enhancers and the isoelectric point of 21 amino acids. In most fits no superimposition of the corresponding G k -J k /G k V -J k V pairs is observed, which diminishes the risk of collinearity. The inclusion of heteroatoms in the -electron systems is beneficial for the description of isoelectric point, because of either the role of additional p-orbitals provided by heteroatom or the role of steric factors in the -electron conjugation. The use of (valence) chargetransfer indices gives limited results for amino-acid isoelectric points. The inclusion of the number of acidic/basic groups improves the models, especially for amino acids with more than two functional groups. The fitting line for 21 amino acids is used to estimate the lysozyme isoelectric point by replacing (1+ n/n T ) with (M+ n)/n T . The lysozyme fragment results can estimate the isoelectric point of the whole protein within 1-13% error.

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Section: Perspectivesmentioning

confidence: 98%

Topological Charge-Transfer Indices: From Small Molecules to Proteins

Torrens¹,

Castellano²

2009

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“…Lysozyme showed hydrolytic activity vs. peptidoglycans [45][46][47][48]. A new tool was described for interrogating macromolecular structure [49].…”

Section: ) Consisting Of Repeating Units Of Disaccharide D-glucuronicmentioning

confidence: 99%

Mucoadhesive Polymer Hyaluronan as Biodegradable Cationic/Zwitterionic-Drug Delivery Vehicle

Torrens

Castellano

2015

ADMET DMPK

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Cooperativity of Protein Binding to Vesicles

Torrens

Castellano²

2011

Advances in Experimental Medicine and Biology

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Electrostatics role is studied in protein adsorption to phosphatidylcholine (PC) and PC/phosphatidylglycerol (PG) small unilamellar vesicles (SUVs). Protein interaction is monitored vs. PG content at low ionic strength. Adsorption of lysozyme, myoglobin and bovine serum albumin (BSA) isoelectric point (pI) is investigated in SUVs, along with changes in protein fluorescence emission spectra. Partition coefficients and cooperativity parameters are calculated. At pI, binding is maximum while at lower/higher pHs binding drops. In Gouy-Chapman model activity coefficient goes with square charge number, which deviations indicate asymmetric location of anionic lipid in the bilayer inner leaflet, in agreement with experiments and molecular dynamics simulations. Vesicles bind myoglobin anti-cooperatively and lysozyme/BSA cooperatively. Hill coefficient reflects subunit cooperativity of bi/tridomain proteins.

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Comparative analysis of the electrostatics of the binding of cationic proteins to vesicles: Asymmetric location of anionic phospholipids

Cited by 5 publications

References 74 publications

Topological Charge-Transfer Indices: From Small Molecules to Proteins

Topological Charge-Transfer Indices: From Small Molecules to Proteins

Mucoadhesive Polymer Hyaluronan as Biodegradable Cationic/Zwitterionic-Drug Delivery Vehicle

Cooperativity of Protein Binding to Vesicles

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