Quantum-Geometry Pharmacophoric ODEs: An Information-Theoretic, Curvature-Aware Framework for Fibrocyte-Centric Physical Supplement Discovery in Skin Repair

Quantum-Geometry Pharmacophoric ODEs: An Information-Theoretic, Curvature-Aware Framework for Fibrocyte-Centric Physical Supplement Discovery in Skin Repair | Authorea try { document.documentElement.classList.add('js'); } catch (e) { } var _gaq = _gaq || []; _gaq.push(['_setAccount', 'G-8VDV14Y67G']); _gaq.push(['_trackPageview']); (function() { var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; ga.src = ('https:' == document.location.protocol ? 'https://ssl' : 'http://www') + '.google-analytics.com/ga.js'; var s = document.getElementsByTagName('script')[0]; s.parentNode.insertBefore(ga, s); })(); Skip to main content Preprints Collections Wiley Open Research IET Open Research Ecological Society of Japan All Collections About About Authorea FAQs Contact Us Quick Search anywhere Search for preprint articles, keywords, etc. Search Search ADVANCED SEARCH SCROLL This is a preprint and has not been peer reviewed. Data may be preliminary. 10 September 2025 V1 Latest version Share on Quantum-Geometry Pharmacophoric ODEs: An Information-Theoretic, Curvature-Aware Framework for Fibrocyte-Centric Physical Supplement Discovery in Skin Repair Author : Grigoriadis Ioannis [email protected] Authors Info & Affiliations https://doi.org/10.22541/au.175747363.35114388/v1 156 views 82 downloads Contents Abstract Supplementary Material Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract Fibrocytes are circulating progenitors linking immune cues and extracellular-matrix (ECM) remodeling by secreting collagen, elastin, cytokines, and growth factors, thereby coordinating wound healing. Yet most cosmeceutical actives do not robustly steer fibrocyte programs. Traditional Chinese Medicine (TCM) offers chemically diverse scaffolds that can modulate collagenase, elastase, and oxidative stress, but brute-force docking inflates false positives and ignores critical physics and scaffold diversity. We introduce an integrated framework: (i) information-theoretic triage (Shannon/Rényi entropies) to guarantee diverse scaffolds; (ii) physically grounded non-polar energetics via an analytic ΔSASA term; and (iii) Pharmacophoric-ODEs , a continuous-time scheme that co-evolves graphs and poses under pharmacophore and curvature constraints. Applied to MMP-1, neutrophil elastase, and ERC/NEU1, >12k phytochemicals were reduced to ~1.2k diverse seeds, 220 docked candidates, and 64 MD/MM-PBSA–refined leads. A triad— Ginkgo biloba , Punica granatum , Morus alba —achieved predicted IC 50 ranges of 0.9–3.4 μM (MMP-1) and 1.5–5.8 μM (elastase) with CSI = 1.37 ± 0.09. Transcriptomic plasticity (MRH = +4.0) and reduced Graph Structural Entropy (ΔGSE = −0.21 to −0.34 bits) supported fibrocyte-centric activation. Supplementary Material File (manuscript_stemartis_grig8092025.docx) Download 29.85 MB Information & Authors Information Version history V1 Version 1 10 September 2025 Copyright This work is licensed under a Non Exclusive No Reuse License. Keywords elastin receptor complex entropy fibrocytes pharmacophoric-odes tcm phytochemicals Authors Affiliations Grigoriadis Ioannis [email protected] Leeds Genetics Laboratory View all articles by this author Metrics & Citations Metrics Article Usage 156 views 82 downloads .FvxKWukQNSOunydq8rnd { width: 100px; } Citations Download citation Grigoriadis Ioannis. Quantum-Geometry Pharmacophoric ODEs: An Information-Theoretic, Curvature-Aware Framework for Fibrocyte-Centric Physical Supplement Discovery in Skin Repair. Authorea . 10 September 2025. 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