312-85-6Relevant articles and documents
Selective conversion of glycerol to lactic acid with iron pincer precatalysts
Sharninghausen, Liam S.,Mercado, Brandon Q.,Crabtree, Robert H.,Hazari, Nilay
, p. 16201 - 16204 (2015)
A family of iron complexes of PNP pincer ligands are active catalysts for the conversion of glycerol to lactic acid with high activity and selectivity. These complexes also catalyse transfer hydrogenation reactions using glycerol as the hydrogen source.
Cannabichromene and Δ9-Tetrahydrocannabinolic Acid Identified as Lactate Dehydrogenase-A Inhibitors by in Silico and in Vitro Screening
Martin, Lewis J.,Cairns, Elizabeth A.,Heblinski, Marika,Fletcher, Charlotte,Krycer, James R.,Arnold, Jonathon C.,McGregor, Iain S.,Bowen, Michael T.,Anderson, Lyndsey L.
, p. 1469 - 1477 (2021/05/29)
Cannabis sativa contains >120 phytocannabinoids, but our understanding of these compounds is limited. Determining the molecular modes of action of the phytocannabinoids may assist in their therapeutic development. Ligand-based virtual screening was used to suggest novel protein targets for phytocannabinoids. The similarity ensemble approach, a virtual screening tool, was applied to target identification for the phytocannabinoids as a class and predicted a possible interaction with the lactate dehydrogenase (LDH) family of enzymes. In order to evaluate this in silico prediction, a panel of 18 phytocannabinoids was screened against two LDH isozymes (LDHA and LDHB) in vitro. Cannabichromene (CBC) and Δ9-tetrahydrocannabinolic acid (Δ9-THCA) inhibited LDHA via a noncompetitive mode of inhibition with respect to pyruvate, with Ki values of 8.5 and 6.5 μM, respectively. In silico modeling was then used to predict the binding site for CBC and Δ9-THCA. Both were proposed to bind within the nicotinamide pocket, overlapping the binding site of the cofactor NADH, which is consistent with the noncompetitive modes of inhibition. Stemming from our in silico screen, CBC and Δ9-THCA were identified as inhibitors of LDHA, a novel molecular target that may contribute to their therapeutic effects.
Efficient and Bio-inspired Conversion of Cellulose to Formic Acid Catalyzed by Metalloporphyrins in Alkaline Solution
Liu, Qiang,Zhou, Doudou,Li, Zongxiang,Luo, Weiping,Guo, Cancheng
supporting information, p. 1063 - 1068 (2017/07/24)
A bio-inspired approach for efficient conversion of cellulose to formic acid (FA) was developed in an aqueous alkaline medium. Metalloporphyrins mimicking cytochrome P450 exhibit efficiently and selectively catalytic performance in catalytic conversion of cellulose. High yield of FA about 63.7% was obtained by using sulfonated iron(III) porphyrin as the catalyst and O2 as the oxidant. Iron(III)-peroxo species, TSPPFeIIIOO?, was involved to cleave the C-C bonds of gluconic acid to FA in this catalytic system. This approach used relatively high concentration of cellulose and ppm concentration of catalyst. This work may provide a bio-inspired route to efficient conversion of cellulose to FA.
