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Preprint . 2026
License: CC BY
Data sources: Datacite
ZENODO
Preprint . 2026
License: CC BY
Data sources: Datacite
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RBV-052B: Computational Design and Safety Assessment of a CNS-Penetrant Rabies Drug Candidate Through Unified Theoretical Framework

Authors: Ahaneku, Oguike;

RBV-052B: Computational Design and Safety Assessment of a CNS-Penetrant Rabies Drug Candidate Through Unified Theoretical Framework

Abstract

RBV-052B is a computationally designed Central Nervous System (CNS) drug candidate employing a prodrug strategy for blood-brain barrier (BBB) penetration followed by intraneuronal activation. This rabies prodrug candidate (SMILES: COC(CN(C)C)(COC)COC, MW: 191 Da) was designed using fixed-point string theory parameters (τ ∗ = 220) derived from the Quantum Entanglement Spacetime Theory (QuEST) framework. Safety assessment through the Cascade Interaction Liability Model (CELM) framework, testing 174 simultaneous biological targets including Human Analogue (102 targets) and Gut Model (72 targets), suggests minimal off-target liabilities and no severe predicted cascade toxicity events within the modeled system. RBV-052B achieves favorable physicochemical properties for CNS penetration (TPSA: 31 ˚A², zero hydrogen bond donors, CNS druggability score: 4/5) while utilizing a solvation trap mechanism for extended neuronal residence time. This compound represents a computationally supported approach to CNS drug delivery that may advance rabies treatment through physics-based molecular design, pending experimental confirmation.

Keywords

QuEST, CNS drug delivery, computational drug design, Rabies, solvation trap, intraneuronal retention, safety assessment, blood-brain barrier, CELM, prodrug design

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
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