Abstract
This in-silico feasibility analysis discloses, as defensive prior art (CC BY 4.0), a lyophilized formulation of native oxytocin in an amorphous trehalose dihydrate glass with D-mannitol crystalline bulking agent and a low-concentration sodium-acetate buffer fixing pH about 4.5 (the published maximum-stability pH), reconstituted on use for standard parenteral (IM/IV) administration to prevent postpartum haemorrhage. No wet-lab data are generated; all numbers are computational extrapolations from peer-reviewed parameters. Using the published Hawe et al. (2009) pH 4.5 Arrhenius kinetics (Ea = 116.3 kJ/mol) as a Bayesian prior, a PyMC posterior contrasts the aqueous product (retaining only about 25% intact oxytocin after 12 months at 37 C) with the modeled vitrified solid (about 94-96% at 37 C, about 99% at 25 C). The benefit is a change of distribution regime: a cheap, generic, off-patent, cold-chain-independent uterotonic, distinct from the proprietary carbetocin analogue and from inhaled dry powder. Three embodiments are disclosed across the cost/performance spectrum (metal-free; plus low-dose zinc acetate; plus zinc/citrate and barrier packaging). The central open question, flagged for validation, is whether a bare trehalose glass at pH 4.5 matches the solid-state stability that published zinc/citrate systems achieve; trehalose's negligible effect in aqueous solution is reconciled by its stabilizing action being a property of the vitrified glass, not the dissolved solute. Mixed-glass Tg, lyophilization-cycle design, and a trehalose-peptide molecular-dynamics literature synthesis support feasibility. This is a prior-art disclosure, not deployment, regulatory, or clinical guidance.
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 License.
Recommended Citation
chuenglertsiri, chaiyapat, "Computational Assessment of a Lyophilized Native-Oxytocin Trehalose-Glass Formulation at pH 4.5 for Thermostable Parenteral Use: Bayesian Shelf-Life Modeling from Published Degradation Kinetics with a Trehalose-Peptide Molecular-Dynamics Literature Synthesis", Technical Disclosure Commons, (June 16, 2026)
https://www.tdcommons.org/dpubs_series/10479