A Fatality Involving 1,3-Propanediol and its Implications in Measurement of other Glycols

Garg, Uttam; Frazee, C. Clinton; Kiscoan, Mike; Scott, D.K.; Peterson, Bonita; Cathcart, David

doi:10.1093/jat/32.4.324

Cited by 10 publications

(3 citation statements)

References 8 publications

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“…It is good to point out, however, that there has been one report of human death supposedly involving PDO in the cause of death in 2008: 47 Two containers of antifreeze were found close to the decedent's body, and via gas chromatography–flame-ionization detection, the concentration of PDO in the decedent's body fluid was found to be 445 mg/dL ( i.e. 58.5 mM).…”

Section: Discussionmentioning

confidence: 99%

1,3-Propanediol binds inside the water-conducting pore of aquaporin 4: Does this efficacious inhibitor have sufficient potency?

Yu¹,

Villarreal²,

Chen³

et al. 2016

J Integr Syst Neurosci

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Among the thirteen types of water channel proteins, aquaporins (AQPs), which play various essential roles in human physiology, AQP4 is richly expressed in cells of the central nervous system and implicated in pathological conditions such as brain edema. Therefore, researchers have been looking for ways to inhibit AQP4's water-conducting function. Many small molecules have been investigated for their interactions with the residues that form the AQP4 channel entry vestibule on the extracellular side and their interruption of waters entering into the conducting pore. Conducting all-atom simulations on the basis of CHARMM 36 force field, we study one such inhibitor, 5-acetamido-1,3,4-thiadiazole-2-sulfonamide (AZM), to achieve quantitative agreement between the computed and the experimentally measured values of AZM-AQP4 binding affinity. Using the same method, we examine the possibility of plugging up the AQP4 channel around the Asn-Pro-Ala motifs located near the channel center because a small molecule bound there would totally occlude water conduction through AQP4. We compute the binding affinities of 1,2-ethanediol (EDO) and 1,3-propanediol (PDO) inside the AQP4 conducting pore and identify the specificities of the interactions. The EDO-AQP4 interaction is weak with a dissociation constant of 80 mM. The PDO-AQP4 interaction is rather strong with a dissociation constant of 328 μM, which indicates that PDO is an efficacious AQP4 inhibitor with sufficiently high potency. Considering the fact that PDO is classified by the US Food and Drug Administration as generally safe, we predict that 1,3-propanediol could be an effective drug for brain edema and other AQP4-correlated neurological conditions.

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Section: Discussionmentioning

confidence: 99%

1,3-Propanediol binds inside the water-conducting pore of aquaporin 4: Does this efficacious inhibitor have sufficient potency?

Yu¹,

Villarreal²,

Chen³

et al. 2016

J Integr Syst Neurosci

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“…But, we know from a few studies that topical application of 1,3-propanediol on human skin may occasionally cause mild irritation as shown also in rabbits [14]. A case report published in 2008 revealed the death of a woman who drank the content of two antifreeze containers comprising 1,3-propanediol [15]. No ethicallyapproved clinical studies have yet been undertaken to study the safety and toxicity of 1,3-propanediol when regularly applied on human skin (clinicaltrials.gov).…”

Section: Journal Of Clinical and Cosmetic Dermatologymentioning

confidence: 99%

Toxicity, Allergenicity and Carcinogenicity: Some Hope for Innovative Cosmeceutical Products?

Pa¹

2019

J Clin Cosmet Dermatol

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Volume 3 -Issue 1 | DOI: is allowed but terms such as 'improvement of skin appearance e.g., shinier, brighter, younger-looking, remain legal. Indeed, claims about improvement of functions or therapeutic-like effects would remove those products from the 'cosmetic and cosmeceutic' class to put them into the 'drugs and therapeutics' category associated with much stricter rules and greater development costs.

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“…Trichloroethanol was detected in blood by GC using electron capture detection (ECD) and subsequently quantitated by HS-GC using flame-ionization detection (FID) (370). 1,3-Propanediol was determined in body fluids by GC-FID (371). A method for the quantitation of 1,1-difluoroethane using HS-GC-FID has been described (372).…”

Section: Drugs and Poisonsmentioning

confidence: 99%

Forensic Science

2009

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A Fatality Involving 1,3-Propanediol and its Implications in Measurement of other Glycols

Cited by 10 publications

References 8 publications

1,3-Propanediol binds inside the water-conducting pore of aquaporin 4: Does this efficacious inhibitor have sufficient potency?

1,3-Propanediol binds inside the water-conducting pore of aquaporin 4: Does this efficacious inhibitor have sufficient potency?

Toxicity, Allergenicity and Carcinogenicity: Some Hope for Innovative Cosmeceutical Products?

Forensic Science

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