Chirobiophore: A Novel Framework for Quantifying Biochirality in Macromolecular Systems

Chirality is a pervasive and functionally critical feature of biological macromolecules, yet its distributed and emergent forms remain poorly quantified in complex systems such as membrane proteins. We present Chirobiophore, a novel paradigm for capturing biochirality across scales-from atomic geometries to global structural asymmetries. Unlike traditional stereochemical metrics, Chirobiophore employs a multidimensional model-independent vector comprising Local Tetrahedral Asymmetry (LTA), Helical Path Curvature (HPC), Asymmetric Environment Score (AES), Directional Density Profile (DDP), Leaflet Asymmetry Index (LAI), and Orientation Twist Score (OTS). This framework enables coordinate-invariant comparisons of structurally diverse proteins in a continuous chirality space. We demonstrate its application to canonical, GPCR, and topologically complex membrane proteins, revealing distinct chirality signatures and functional clustering. Furthermore, we map Chirobiophore descriptors to tissue-level asymmetry indices, providing a bridge between molecular structure and morphogenetic patterning. Chirobiophore offers a unified, extensible platform for structural biology, synthetic design, and developmental modeling of chirality.

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Publication Details

Journal
Biomolecules
Published
2026-04-13
DOI
https://doi.org/10.3390/biom16040576
Primary Topic
Origins and Evolution of Life
Type
article
Field-Weighted Citation Impact
0.00
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article

Chirobiophore: A Novel Framework for Quantifying Biochirality in Macromolecular Systems

Claudiu Nicolae Lungu, Subhash C. Basak
Biomolecules
Origins and Evolution of Life
article

Chirobiophore: A Novel Framework for Quantifying Biochirality in Macromolecular Systems

Claudiu Nicolae Lungu, Subhash C. Basak
article en

Abstract

Chirality is a pervasive and functionally critical feature of biological macromolecules, yet its distributed and emergent forms remain poorly quantified in complex systems such as membrane proteins. We present Chirobiophore, a novel paradigm for capturing biochirality across scales-from atomic geometries to global structural asymmetries. Unlike traditional stereochemical metrics, Chirobiophore employs a multidimensional model-independent vector comprising Local Tetrahedral Asymmetry (LTA), Helical Path Curvature (HPC), Asymmetric Environment Score (AES), Directional Density Profile (DDP), Leaflet Asymmetry Index (LAI), and Orientation Twist Score (OTS). This framework enables coordinate-invariant comparisons of structurally diverse proteins in a continuous chirality space. We demonstrate its application to canonical, GPCR, and topologically complex membrane proteins, revealing distinct chirality signatures and functional clustering. Furthermore, we map Chirobiophore descriptors to tissue-level asymmetry indices, providing a bridge between molecular structure and morphogenetic patterning. Chirobiophore offers a unified, extensible platform for structural biology, synthetic design, and developmental modeling of chirality.

BiomoleculesVol. 16(4)
"Dunarea de Jos" University of Galati (RO), University of Minnesota, Duluth (US)
Life in Land
Openalex Percentile: Top 22%
Origins and Evolution of Life
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